SMILES:
CC(=O)C=Cc1c(Cl)nc(C)c2c1CCCC2Molecular Processing
Molecular formula
C14H16ClNO
Molecular weight
249.74
Exact mass
249.092
XLogP
3.52
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.34
Supplementary Information
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