Mrv1652306031607302D          

  6  5  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043977

> <DATABASE_NAME>
chemdb

> <SMILES>
CS\C(C)=N\O

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3/b4-3+

> <INCHI_KEY>
TYEVWCPZVQACAE-ONEGZZNKSA-N

> <FORMULA>
C3H7NOS

> <MOLECULAR_WEIGHT>
105.16

> <EXACT_MASS>
105.024835023

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
10.63753752077515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(E)-N-[1-(methylsulfanyl)ethylidene]hydroxylamine

> <ALOGPS_LOGP>
0.31

> <JCHEM_LOGP>
0.6866576346666666

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.492707074732143

> <JCHEM_PKA_STRONGEST_BASIC>
1.8043000213362284

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
27.5302

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(mes)-acetaldehyde oxime

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methomyl-oxime

> <CAS>
13749-94-5

> <TYPES>
Pesticide

$$$$