CN1CCN(c2ccnc(-c3cc(Cl)cs3)c2)CC1
SMILES: CN1CCN(c2ccnc(-c3cc(Cl)cs3)c2)CC1

Molecular Processing

Molecular formula
C14H16ClN3S
Molecular weight
293.82
Exact mass
293.0753
XLogP
3.22
TPSA
19.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
82.27

Supplementary Information

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