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C16H8N2O4Cl2 | Cheminformatics
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(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Molecular Formula : C16H8N2O4Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

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

MolecularFormula : C16H8N2O4Cl2

Smiles : [O-][N+](c1cccc(C(OC2=O)=N/C2=C/c(cc2)cc(Cl)c2Cl)c1)=O

InChI : InChI=1S/C16H8Cl2N2O4/c17-12-5-4-9(6-13(12)18)7-14-16(21)24-15(19-14)10-2-1-3-11(8-10)20(22)23/h1-8H

InChIK : AAQDYPLUMLTCBE-UHFFFAOYSA-N

TotalMolweight : 363.156

Molweight : 363.156

MonoisotopicMass : 361.986112

CLogP : 2.8822

CLogS : -5.851

H Acceptors : 6

TotalSurfaceArea : 249.46

Relative PSA : 0.26044

PolarSurfaceArea : 84.48

Druglikeness : -4.0702

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

AcidicOxygens : 1

StereoCon :

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