SMILES:
COc1cncc2cccc(NC3CCC(N)CC3)c12.ClMolecular Processing
Molecular formula
C16H22ClN3O
Molecular weight
307.82
Exact mass
307.1451
XLogP
3.35
TPSA
60.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
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
89.4
Supplementary Information
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