SMILES:
Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccccc4C3)nccc12.ClMolecular Processing
Molecular formula
C25H26ClN3
Molecular weight
403.96
Exact mass
403.1815
XLogP
5.69
TPSA
21.06
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.24
Molar refractivity
123.2
Supplementary Information
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