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C11H8N2O4 | Cheminformatics
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(NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine

Molecular Formula : C11H8N2O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.

MolName : (NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine

MolecularFormula : C11H8N2O4

Smiles : [O-][N+](c1cc(-c2ccc(/C=N/O)o2)ccc1)=O

InChI : InChI=1S/C11H8N2O4/c14-12-7-10-4-5-11(17-10)8-2-1-3-9(6-8)13(15)16/h1-7,14H

InChIK : OQNFGUGJYRQEJL-UHFFFAOYSA-N

TotalMolweight : 232.195

Molweight : 232.195

MonoisotopicMass : 232.048408

CLogP : 2.2316

CLogS : -4.235

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 177.49

Relative PSA : 0.38954

PolarSurfaceArea : 91.55

Druglikeness : -3.3909

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.64706

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

AcidicOxygens : 1

StereoCon :

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