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C15H9N3O4 | Cheminformatics
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(4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

Molecular Formula : C15H9N3O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName : (4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

MolecularFormula : C15H9N3O4

Smiles : [O-][N+](c1cc(C(OC2=O)=N/C2=C\c2cnccc2)ccc1)=O

InChI : InChI=1S/C15H9N3O4/c19-15-13(7-10-3-2-6-16-9-10)17-14(22-15)11-4-1-5-12(8-11)18(20)21/h1-9H

InChIK : PWMARTLMPBLXCY-UHFFFAOYSA-N

TotalMolweight : 295.253

Molweight : 295.253

MonoisotopicMass : 295.059307

CLogP : 0.6693

CLogS : -3.584

H Acceptors : 7

TotalSurfaceArea : 217.38

Relative PSA : 0.34934

PolarSurfaceArea : 97.37

Druglikeness : -4.1696

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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