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C15H9N2O2Cl | Cheminformatics
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(Z)-2-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile

Molecular Formula : C15H9N2O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(Z)-2-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName : (Z)-2-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile

MolecularFormula : C15H9N2O2Cl

Smiles : N#C/C(/c1cccc(Cl)c1)=C\c1cc([N+]([O-])=O)ccc1

InChI : InChI=1S/C15H9ClN2O2/c16-14-5-2-4-12(9-14)13(10-17)7-11-3-1-6-15(8-11)18(19)20/h1-9H

InChIK : QWHOVXNUODYOKP-UHFFFAOYSA-N

TotalMolweight : 284.701

Molweight : 284.701

MonoisotopicMass : 284.035255

CLogP : 3.017

CLogS : -4.825

H Acceptors : 4

TotalSurfaceArea : 218.53

Relative PSA : 0.20125

PolarSurfaceArea : 69.61

Druglikeness : -10.108

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.55

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

AcidicOxygens : 1

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