SMILES:
CC[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccc(C)cc5)ccc4CC3)cc2)CCCCCC1.[Cl-]Molecular Processing
Molecular formula
C33H39ClN2O
Molecular weight
515.14
Exact mass
514.2751
XLogP
4.55
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
150.69
Supplementary Information
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