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C23H15N3O4BrCl3 | Cheminformatics
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[4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Molecular Formula : C23H15N3O4BrCl3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
[4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName : [4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C23H15N3O4BrCl3

Smiles : O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C23H15BrCl3N3O4/c24-16-4-8-20(34-23(33)13-1-5-17(25)6-2-13)15(9-16)11-29-30-21(31)12-28-22(32)14-3-7-18(26)19(27)10-14/h1-11H,12H2,(H,28,32)(H,30,31)

InChIK : HATJHHMHLXWTPI-UHFFFAOYSA-N

TotalMolweight : 583.652

Molweight : 583.652

MonoisotopicMass : 580.931149

CLogP : 6.259

CLogS : -8

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 382.36

Relative PSA : 0.21851

PolarSurfaceArea : 96.86

Druglikeness : 3.3116

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.61765

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

StereoCon :

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