SMILES:
CCCNC(=O)c1ccc2c(c1)CC(N)C2.ClMolecular Processing
Molecular formula
C13H19ClN2O
Molecular weight
254.76
Exact mass
254.1186
XLogP
1.67
TPSA
55.12
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
71.7
Supplementary Information
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