名称: product
SMILES:
COC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)[nH]c1=OMolecular Processing
Molecular formula
C19H13Cl2NO3
Molecular weight
374.22
Exact mass
373.0272
XLogP
4.8
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
99.29
Supplementary Information
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