SMILES:
CCOC(=O)C1Nc2ccc(Cl)cc2C2C=CCC12Molecular Processing
Molecular formula
C15H16ClNO2
Molecular weight
277.75
Exact mass
277.087
XLogP
3.36
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
75.48
Supplementary Information
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