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MolName : 4-[[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid

MolecularFormula : C14H10N4O7

Smiles : [O-][N+](c1ccc(/C=N\NC(C(Nc(cc2)ccc2C(O)=O)=O)=O)o1)=O

InChI : InChI=1S/C14H10N4O7/c19-12(16-9-3-1-8(2-4-9)14(21)22)13(20)17-15-7-10-5-6-11(25-10)18(23)24/h1-7H,(H,16,19)(H,17,20)(H,21,22)

InChIK : RNLCIEBMEQDTCS-UHFFFAOYSA-N

TotalMolweight : 346.254

Molweight : 346.254

MonoisotopicMass : 346.054951

CLogP : 0.2475

CLogS : -4.205

H Acceptors : 11

H Donors : 3

TotalSurfaceArea : 253.66

Relative PSA : 0.51715

PolarSurfaceArea : 166.82

Druglikeness : 2.0455

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 2

StereoCon :