SMILES:
COc1ccc(CCC2(C3CCCC3)CC(=O)C(Cc3nc4ccccc4n3C)C(=O)O2)cc1ClMolecular Processing
Molecular formula
C28H31ClN2O4
Molecular weight
495.02
Exact mass
494.1972
XLogP
5.47
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
134.64
Supplementary Information
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