CSC1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)Cl
Название: 2-(4-chlorophenyl)-2-(4-methylsulfanylanilino)acetonitrile
SMILES: CSC1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)Cl

Molecular Processing

Molecular formula
C15H13ClN2S
Molecular weight
288.8
Exact mass
288.0488
XLogP
4.74
TPSA
35.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.65

Supplementary Information

InChIKey: NIGDBZPFYQPTGJ-UHFFFAOYSA-N
Синонимы
SCHEMBL5311403NIGDBZPFYQPTGJ-UHFFFAOYSA-Nalpha-(4-Chlorophenyl)-alpha-(4-methylthioanilino)acetonitrile
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