SMILES:
COc1ccc2[nH]c(=O)cc(CCCl)c2c1Molecular Processing
Molecular formula
C12H12ClNO2
Molecular weight
237.69
Exact mass
237.0557
XLogP
2.32
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
65.54
Supplementary Information
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