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C16H9N3O6 | Cheminformatics
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(4E)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one

Molecular Formula : C16H9N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4E)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName : (4E)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one

MolecularFormula : C16H9N3O6

Smiles : [O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C/c1cccc([N+]([O-])=O)c1)=O

InChI : InChI=1S/C16H9N3O6/c20-16-14(9-10-2-1-3-13(8-10)19(23)24)17-15(25-16)11-4-6-12(7-5-11)18(21)22/h1-9H

InChIK : NUNZUZWZVYNTGT-UHFFFAOYSA-N

TotalMolweight : 339.262

Molweight : 339.262

MonoisotopicMass : 339.049137

CLogP : 0.7486

CLogS : -4.839

H Acceptors : 9

TotalSurfaceArea : 242.29

Relative PSA : 0.3937

PolarSurfaceArea : 130.3

Druglikeness : -4.1696

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :

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