이름: 4-(3-cyano-1-ethyl-6-methoxy-1H-indol-2-yl)-benzoic acid
SMILES:
CCn1c(-c2ccc(C(=O)O)cc2)c(C#N)c2ccc(OC)cc21Molecular Processing
Molecular formula
C19H16N2O3
Molecular weight
320.35
Exact mass
320.1161
XLogP
3.91
TPSA
75.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
91.27
Supplementary Information
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