Cc1c(C)n(CC(C)C)c2c(Cl)nccc12
SMILES: Cc1c(C)n(CC(C)C)c2c(Cl)nccc12

Molecular Processing

Molecular formula
C13H17ClN2
Molecular weight
236.75
Exact mass
236.108
XLogP
3.96
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.06

Supplementary Information

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