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C12H9N3O4 | Cheminformatics
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N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide

Molecular Formula : C12H9N3O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.

MolName : N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide

MolecularFormula : C12H9N3O4

Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c1cocc1)=O)=O

InChI : InChI=1S/C12H9N3O4/c16-12(14-13-7-9-5-6-19-8-9)10-1-3-11(4-2-10)15(17)18/h1-8H,(H,14,16)

InChIK : XPSMWWWBBOYZGV-UHFFFAOYSA-N

TotalMolweight : 259.22

Molweight : 259.22

MonoisotopicMass : 259.059307

CLogP : 1.4147

CLogS : -3.839

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 200.35

Relative PSA : 0.402

PolarSurfaceArea : 100.42

Druglikeness : -0.94478

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.68421

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 1

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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