CCCN1C2=C(C=CC(=C2)OC)C(=C1C3=CC=C(C=C3)N)C#N
이름: 2-(4-aminophenyl)-6-methoxy-1-propylindole-3-carbonitrile
SMILES: CCCN1C2=C(C=CC(=C2)OC)C(=C1C3=CC=C(C=C3)N)C#N

Molecular Processing

Molecular formula
C19H19N3O
Molecular weight
305.38
Exact mass
305.1528
XLogP
4.18
TPSA
63.97
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
93.34

Supplementary Information

InChIKey: VRZLSAROVHVQFH-UHFFFAOYSA-N
동의어
SCHEMBL980919VRZLSAROVHVQFH-UHFFFAOYSA-N2-(4-aminophenyl)-6-methoxy-1-propyl-1H-indole-3-carbonitrile
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