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C15H10N4O5 | Cheminformatics
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(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C15H10N4O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C15H10N4O5

Smiles : [O-][N+](c1cc(/C=C/C(Nc2nnc(-c3ccco3)o2)=O)ccc1)=O

InChI : InChI=1S/C15H10N4O5/c20-13(7-6-10-3-1-4-11(9-10)19(21)22)16-15-18-17-14(24-15)12-5-2-8-23-12/h1-9H,(H,16,18,20)

InChIK : POGSFNSZMRSOBR-UHFFFAOYSA-N

TotalMolweight : 326.267

Molweight : 326.267

MonoisotopicMass : 326.065121

CLogP : 1.635

CLogS : -5.308

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 249.06

Relative PSA : 0.42191

PolarSurfaceArea : 126.98

Druglikeness : -4.1436

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.625

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 1

Amides : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

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1 - (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
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