SMILES:
COc1c(Cl)ccc(N)c1C(=O)c1ccccc1Molecular Processing
Molecular formula
C14H12ClNO2
Molecular weight
261.71
Exact mass
261.0557
XLogP
3.16
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.071
Molar refractivity
72.29
Supplementary Information
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