이름: 5-chloro-1-(3-methylbenzyl)-1H-indole-2-carboxylic acid
SMILES:
Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1Molecular 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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