SMILES:
CC(=O)NCCc1cc2c(cc1CCl)OCO2Molecular Processing
Molecular formula
C12H14ClNO3
Molecular weight
255.7
Exact mass
255.0662
XLogP
1.83
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.51
Supplementary Information
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