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C28H18N2O6Cl2 | Cheminformatics
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[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Molecular Formula : C28H18N2O6Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName : [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C28H18N2O6Cl2

Smiles : Oc(cc1)ccc1C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O

InChI : InChI=1S/C28H18Cl2N2O6/c29-21-8-1-18(2-9-21)27(35)37-24-14-7-20(16-31-32-26(34)17-5-12-23(33)13-6-17)25(15-24)38-28(36)19-3-10-22(30)11-4-19/h1-16,33H,(H,32,34)

InChIK : XIHLREMZEUIYFR-UHFFFAOYSA-N

TotalMolweight : 549.365

Molweight : 549.365

MonoisotopicMass : 548.054192

CLogP : 6.9289

CLogS : -7.837

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 399.2

Relative PSA : 0.23845

PolarSurfaceArea : 114.29

Druglikeness : 4.0444

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.52632

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 9

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 3

Symmetricatoms : 6

StereoCon :

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