CCOC(=O)c1c(CCl)nc2cc3c(cc2c1-c1ccc(OC)c(OC)c1)OCCO3
SMILES: CCOC(=O)c1c(CCl)nc2cc3c(cc2c1-c1ccc(OC)c(OC)c1)OCCO3

Molecular Processing

Molecular formula
C23H22ClNO6
Molecular weight
443.88
Exact mass
443.1136
XLogP
4.61
TPSA
76.11
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
116.79

Supplementary Information

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