SMILES:
COc1ccc(CNc2nc3ccc(-c4ccccc4Cl)cc3cc2CCC(=O)NCC2CCCCC2)cc1Molecular Processing
Molecular formula
C33H36ClN3O2
Molecular weight
542.12
Exact mass
541.2496
XLogP
7.81
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
160.42
Supplementary Information
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