이름: product
SMILES:
CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NMolecular Processing
Molecular formula
C23H17Cl3N2O3
Molecular weight
475.76
Exact mass
474.0305
XLogP
6.66
TPSA
89.35
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
124.95
Supplementary Information
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