SMILES:
Cc1cc2c(nc1Cl)N1C(C)CNCC1C2Molecular Processing
Molecular formula
C12H16ClN3
Molecular weight
237.73
Exact mass
237.1033
XLogP
1.77
TPSA
28.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
66.29
Supplementary Information
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