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C14H10N2O4 | Cheminformatics

pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate

Molecular Formula : C14H10N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate

MolecularFormula : C14H10N2O4

Smiles : [O-][N+](c1cc(/C=C/C(Oc2cnccc2)=O)ccc1)=O

InChI : InChI=1S/C14H10N2O4/c17-14(20-13-5-2-8-15-10-13)7-6-11-3-1-4-12(9-11)16(18)19/h1-10H

InChIK : DGRVWZRDRQZBFP-UHFFFAOYSA-N

TotalMolweight : 270.243

Molweight : 270.243

MonoisotopicMass : 270.064058

CLogP : 1.4968

CLogS : -3.121

H Acceptors : 6

TotalSurfaceArea : 209.7

Relative PSA : 0.30725

PolarSurfaceArea : 85.01

Druglikeness : -8.1115

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.65

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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