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C14H10N4O5 | Cheminformatics
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(E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide

Molecular Formula : C14H10N4O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide is a drug-like molecule.

MolName : (E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide

MolecularFormula : C14H10N4O5

Smiles : [O-][N+](c1cccc(/C=C/C(Nc(ccnc2)c2[N+]([O-])=O)=O)c1)=O

InChI : InChI=1S/C14H10N4O5/c19-14(16-12-6-7-15-9-13(12)18(22)23)5-4-10-2-1-3-11(8-10)17(20)21/h1-9H,(H,15,16,19)

InChIK : MZQPUQRLTDJJST-UHFFFAOYSA-N

TotalMolweight : 314.256

Molweight : 314.256

MonoisotopicMass : 314.065121

CLogP : 0.2922

CLogS : -3.623

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 234.83

Relative PSA : 0.41013

PolarSurfaceArea : 133.63

Druglikeness : -5.5383

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.56522

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 2

StereoCon :

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