CC1C(C(C)(C)O)CCN1c1ccc(C#N)c(Cl)c1Cl
SMILES: CC1C(C(C)(C)O)CCN1c1ccc(C#N)c(Cl)c1Cl

Molecular Processing

Molecular formula
C15H18Cl2N2O
Molecular weight
313.23
Exact mass
312.0796
XLogP
3.85
TPSA
47.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
82.39

Supplementary Information

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