SMILES:
CC(C)Cn1cnc2c(Cl)nc3ccccc3c21Molecular Processing
Molecular formula
C14H14ClN3
Molecular weight
259.74
Exact mass
259.0876
XLogP
3.89
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
74.88
Supplementary Information
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