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C15H12N2O4 | Cheminformatics
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(E)-N-(4-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C15H12N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-(4-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

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

MolecularFormula : C15H12N2O4

Smiles : [O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2O)=O)ccc1)=O

InChI : InChI=1S/C15H12N2O4/c18-14-7-5-12(6-8-14)16-15(19)9-4-11-2-1-3-13(10-11)17(20)21/h1-10,18H,(H,16,19)

InChIK : RWRDXAZMIRQTMG-UHFFFAOYSA-N

TotalMolweight : 284.27

Molweight : 284.27

MonoisotopicMass : 284.079708

CLogP : 1.869

CLogS : -3.662

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 218.75

Relative PSA : 0.31095

PolarSurfaceArea : 95.15

Druglikeness : -5.5021

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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