SMILES:
C=C(C)n1c(=O)n(CCCCl)c2ccccc21Molecular Processing
Molecular formula
C13H15ClN2O
Molecular weight
250.73
Exact mass
250.0873
XLogP
2.92
TPSA
26.93
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
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
0.308
Molar refractivity
72.54
Supplementary Information
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