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C16H12N3O4Cl | Cheminformatics

3-chloro-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

Molecular Formula : C16H12N3O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : 3-chloro-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

MolecularFormula : C16H12N3O4Cl

Smiles : [O-][N+](c1cccc(/C=C/C(NNC(c2cccc(Cl)c2)=O)=O)c1)=O

InChI : InChI=1S/C16H12ClN3O4/c17-13-5-2-4-12(10-13)16(22)19-18-15(21)8-7-11-3-1-6-14(9-11)20(23)24/h1-10H,(H,18,21)(H,19,22)

InChIK : HEFLXIOYBSOMBR-UHFFFAOYSA-N

TotalMolweight : 345.741

Molweight : 345.741

MonoisotopicMass : 345.051634

CLogP : 1.6312

CLogS : -4.876

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 257.03

Relative PSA : 0.30899

PolarSurfaceArea : 104.02

Druglikeness : -4.4702

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.625

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

AcidicOxygens : 1

StereoCon :

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