CC(=O)N1C2=CC=CC=C2C(=C(C3=CC=CC=C3)Cl)C1=O
Название: 1-acetyl-3-[chloro(phenyl)methylidene]indol-2-one
SMILES: CC(=O)N1C2=CC=CC=C2C(=C(C3=CC=CC=C3)Cl)C1=O

Molecular Processing

Molecular formula
C17H12ClNO2
Molecular weight
297.74
Exact mass
297.0557
XLogP
3.69
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
83.72

Supplementary Information

InChIKey: OEUVIWACIDHWEK-UHFFFAOYSA-N
Синонимы
SCHEMBL6328153OEUVIWACIDHWEK-UHFFFAOYSA-N1-acetyl-3-(1-chloro-1-phenyl-methylidene)-2-indolinone
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