COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1
SMILES: COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1

Molecular Processing

Molecular formula
C18H14Cl2N2O4
Molecular weight
393.23
Exact mass
392.0331
XLogP
4.67
TPSA
70.54
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
98.18

Supplementary Information

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