COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3C=O)sc2c1
SMILES: COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3C=O)sc2c1

Molecular Processing

Molecular formula
C30H29NO4S
Molecular weight
499.63
Exact mass
499.1817
XLogP
6.49
TPSA
55.84
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
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
0.267
Molar refractivity
144.86

Supplementary Information

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