Mrv1572004191601092D          

  4  4  0  0  0  0            999 V2000
    0.2382    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004014

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CN1

> <INCHI_IDENTIFIER>
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3

> <INCHI_KEY>
OZDGMOYKSFPLSE-UHFFFAOYSA-N

> <FORMULA>
C3H7N

> <MOLECULAR_WEIGHT>
57.096

> <EXACT_MASS>
57.057849229

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
6.843221812065279

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methylaziridine

> <ALOGPS_LOGP>
-0.47

> <JCHEM_LOGP>
0.05217160966666666

> <ALOGPS_LOGS>
0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.94583846484321

> <JCHEM_POLAR_SURFACE_AREA>
21.94

> <JCHEM_REFRACTIVITY>
17.1432

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.28e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methylaziridine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Aziridine, 2-methyl

> <CAS>
75-55-8

> <SYNONYMS>
2-methylaziridine; 2-Methylaziridine; 2-Methylaziridine (Propyleneimine); Propyleneimine

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