Mrv2104 06072104352D          

 12 11  0  0  1  0            999 V2000
    2.0243    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   -0.2750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3099   -0.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3099   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9770   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <DATABASE_ID>
PHUB001965

> <DATABASE_NAME>
phytohub

> <SMILES>
N[C@@H](CCCNC(N)=N)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1

> <INCHI_KEY>
ODKSFYDXXFIFQN-BYPYZUCNSA-M

> <FORMULA>
C6H13N4O2

> <MOLECULAR_WEIGHT>
173.197

> <EXACT_MASS>
173.104399255

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9927971841984511

> <JCHEM_AVERAGE_POLARIZABILITY>
17.347564279798842

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-carbamimidamidopentanoate

> <ALOGPS_LOGP>
-1.28

> <JCHEM_LOGP>
-3.1559373774200568

> <ALOGPS_LOGS>
-1.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4118378885304885

> <JCHEM_PKA_STRONGEST_BASIC>
12.41100429474531

> <JCHEM_POLAR_SURFACE_AREA>
128.05

> <JCHEM_REFRACTIVITY>
64.7602

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.48e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-argininate

> <JCHEM_VEBER_RULE>
0

$$$$