SMILES:
COC(=O)[C@@]1(c2ccccc2Cl)C=CC(CN2CC(=O)C2)=CC1Molecular Processing
Molecular formula
C18H18ClNO3
Molecular weight
331.8
Exact mass
331.0975
XLogP
2.52
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
88.43
Supplementary Information
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