CCCCC1=CNC2=C1C=C(C=C2)C(=O)OCC
名称: ethyl 3-butyl-1H-indole-5-carboxylate
SMILES: CCCCC1=CNC2=C1C=C(C=C2)C(=O)OCC

Molecular Processing

Molecular formula
C15H19NO2
Molecular weight
245.32
Exact mass
245.1416
XLogP
3.69
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
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
0.4
Molar refractivity
72.87

Supplementary Information

InChIKey: BFHYULOKBQUDIY-UHFFFAOYSA-N
同義語
SCHEMBL3351580BFHYULOKBQUDIY-UHFFFAOYSA-Nethyl 3-butyl-1H-indole-5-carboxylate
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