이름: 1-(2-clorophenyl)-3-isoquinolinecarboxylic acid
SMILES:
O=C(O)c1cc2ccccc2c(-c2ccccc2Cl)n1Molecular Processing
Molecular formula
C16H10ClNO2
Molecular weight
283.71
Exact mass
283.04
XLogP
4.25
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
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
Molar refractivity
79.15
Supplementary Information
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