SMILES:
COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1NMolecular Processing
Molecular formula
C13H10Cl3NO
Molecular weight
302.59
Exact mass
300.9828
XLogP
4.9
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
77.87
Supplementary Information
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