SMILES:
CCNc1nc(Cl)nc2c1CCC2(C)c1ccccc1Molecular Processing
Molecular formula
C16H18ClN3
Molecular weight
287.79
Exact mass
287.1189
XLogP
3.81
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
82.42
Supplementary Information
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