COCCn1c2cc(OCCCO)c(OC)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
SMILES: COCCn1c2cc(OCCCO)c(OC)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O

Molecular Processing

Molecular formula
C27H25ClN2O6
Molecular weight
508.96
Exact mass
508.1401
XLogP
4.41
TPSA
99.02
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
137.31

Supplementary Information

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