名称: product
SMILES:
N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=OMolecular Processing
Molecular formula
C18H9Cl3N2O
Molecular weight
375.64
Exact mass
373.978
XLogP
5.54
TPSA
56.65
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
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
Molar refractivity
97.68
Supplementary Information
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