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C11H10N3O6 | Cheminformatics
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4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate

Molecular Formula : C11H10N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate is a drug-like molecule.

MolName : 4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate

MolecularFormula : C11H10N3O6

Smiles : [O-]C(CCC(NNC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O

InChI : InChI=1S/C11H11N3O6/c15-9(5-6-10(16)17)12-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)/p-1

InChIK : JDZIORQQWHFDKH-UHFFFAOYSA-M

TotalMolweight : 280.215

Molweight : 280.215

MonoisotopicMass : 280.056962

CLogP : -3.1913

CLogS : -2.615

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 208.15

Relative PSA : 0.5128

PolarSurfaceArea : 144.15

Druglikeness : -4.4635

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.7

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :

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