SMILES:
Cc1cnc(O)c2cccc(N[C@H]3CC[C@H](N)CC3)c12.ClMolecular Processing
Molecular formula
C16H22ClN3O
Molecular weight
307.82
Exact mass
307.1451
XLogP
3.35
TPSA
71.17
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
89.25
Supplementary Information
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