名称: product
SMILES:
Cc1ccc(-c2cc(C#N)c(OCc3ccc(C(=O)O)cc3)nc2-c2ccc(Cl)cc2Cl)cc1Molecular Processing
Molecular formula
C27H18Cl2N2O3
Molecular weight
489.36
Exact mass
488.0694
XLogP
7.18
TPSA
83.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
132.31
Supplementary Information
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