CCCN1C=C(C2=C1C=C(C=C2)OC)C#N
CAS: 876743-20-3
名称: 6-methoxy-1-propylindole-3-carbonitrile
SMILES: CCCN1C=C(C2=C1C=C(C=C2)OC)C#N

Molecular Processing

Molecular formula
C13H14N2O
Molecular weight
214.27
Exact mass
214.1106
XLogP
2.93
TPSA
37.95
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.5

Supplementary Information

InChIKey: QAEHPMCCLSFZFE-UHFFFAOYSA-N
同義語
SCHEMBL984866QAEHPMCCLSFZFE-UHFFFAOYSA-NDB-1140036-methoxy-1-propyl-1H-indole-3-carbonitrile876743-20-3
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