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C14H10N3O5 | Cheminformatics
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4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate

Molecular Formula : C14H10N3O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName : 4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate

MolecularFormula : C14H10N3O5

Smiles : [O-]C(c(cc1)ccc1N/N=C\C=C\c1ccc([N+]([O-])=O)o1)=O

InChI : InChI=1S/C14H11N3O5/c18-14(19)10-3-5-11(6-4-10)16-15-9-1-2-12-7-8-13(22-12)17(20)21/h1-9,16H,(H,18,19)/p-1

InChIK : JBJXFVMXTOQXQK-UHFFFAOYSA-M

TotalMolweight : 300.249

Molweight : 300.249

MonoisotopicMass : 300.062047

CLogP : 0.8868

CLogS : -4.121

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 234.38

Relative PSA : 0.40456

PolarSurfaceArea : 123.48

Druglikeness : -0.70189

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.72727

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :

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