이름: 1-butyl-6-methoxy-1H-indole-3-carbonitrile
SMILES:
CCCCn1cc(C#N)c2ccc(OC)cc21Molecular Processing
Molecular formula
C14H16N2O
Molecular weight
228.29
Exact mass
228.1263
XLogP
3.32
TPSA
37.95
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
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
0.357
Molar refractivity
68.11
Supplementary Information
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