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C14H7N2O4BrS | Cheminformatics
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(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Molecular Formula : C14H7N2O4BrS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

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

MolecularFormula : C14H7N2O4BrS

Smiles : [O-][N+](c1cccc(C(OC2=O)=N/C2=C\c2cc(Br)cs2)c1)=O

InChI : InChI=1S/C14H7BrN2O4S/c15-9-5-11(22-7-9)6-12-14(18)21-13(16-12)8-2-1-3-10(4-8)17(19)20/h1-7H

InChIK : TVLDIMSXLMDIPH-UHFFFAOYSA-N

TotalMolweight : 379.19

Molweight : 379.19

MonoisotopicMass : 377.930989

CLogP : 2.262

CLogS : -5.223

H Acceptors : 6

TotalSurfaceArea : 233.19

Relative PSA : 0.36592

PolarSurfaceArea : 112.72

Druglikeness : -8.3488

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

AcidicOxygens : 1

StereoCon :

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