SMILES:
O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC2C(=O)N(Cc3ccccc3)CC2C1Molecular Processing
Molecular formula
C30H28ClN3O2
Molecular weight
498.03
Exact mass
497.187
XLogP
5.46
TPSA
45.55
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
141.85
Supplementary Information
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