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C16H12N3O2Cl3 | Cheminformatics
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4-chloro-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Molecular Formula : C16H12N3O2Cl3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-chloro-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.

MolName : 4-chloro-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

MolecularFormula : C16H12N3O2Cl3

Smiles : O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c(ccc(Cl)c1)c1Cl

InChI : InChI=1S/C16H12Cl3N3O2/c17-12-4-1-10(2-5-12)16(24)20-9-15(23)22-21-8-11-3-6-13(18)7-14(11)19/h1-8H,9H2,(H,20,24)(H,22,23)

InChIK : WPWBYUGLRNNHHN-UHFFFAOYSA-N

TotalMolweight : 384.649

Molweight : 384.649

MonoisotopicMass : 382.999508

CLogP : 4.1033

CLogS : -5.696

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 276.22

Relative PSA : 0.21906

PolarSurfaceArea : 70.56

Druglikeness : 5.3537

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.70833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 1

StereoCon :

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1 - 4-chloro-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
2 - 4-chloro-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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