COC1=CC(=CC=C1)S(=O)C2=CC=CC(=C2C#N)N
Название: 2-amino-6-(3-methoxyphenyl)sulfinylbenzonitrile
SMILES: COC1=CC(=CC=C1)S(=O)C2=CC=CC(=C2C#N)N

Molecular Processing

Molecular formula
C14H12N2O2S
Molecular weight
272.33
Exact mass
272.0619
XLogP
2.32
TPSA
76.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.24

Supplementary Information

InChIKey: DTAPEXKJTDIXLQ-UHFFFAOYSA-N
Синонимы
CHEMBL550072-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrileBDBM1757SCHEMBL86409136-Amino-2-[(3-methoxyphenyl)sulfinyl]benzenecarbonitrileDTAPEXKJTDIXLQ-UHFFFAOYSA-NBDBM504802222-Amino-6-arylthiobenzonitrile deriv. 2b2-amino-6-(3-methoxyphenyl)sulfinyl-benzonitrile2-amino-6-[(3-methoxybenzene)sulfinyl]benzonitrile
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