SMILES:
Cc1cccc(NCC2=NCCN2)c1C.ClMolecular Processing
Molecular formula
C12H18ClN3
Molecular weight
239.75
Exact mass
239.1189
XLogP
2.14
TPSA
36.42
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
71.96
Supplementary Information
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