이름: 1-(4-chlorobenzyl)-3-methyl-1H-indole-2-carboxylic acid
SMILES:
Cc1c(C(=O)O)n(Cc2ccc(Cl)cc2)c2ccccc12Molecular Processing
Molecular formula
C17H14ClNO2
Molecular weight
299.76
Exact mass
299.0713
XLogP
4.35
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
21
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
0.118
Molar refractivity
84.19
Supplementary Information
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