Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C13H8NO5 | Cheminformatics
Menu

(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate

Molecular Formula : C13H8NO5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName : (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate

MolecularFormula : C13H8NO5

Smiles : [O-]C(/C=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O

InChI : InChI=1S/C13H9NO5/c15-13(16)8-6-11-5-7-12(19-11)9-1-3-10(4-2-9)14(17)18/h1-8H,(H,15,16)/p-1

InChIK : OGFLVOQOCHNPDE-UHFFFAOYSA-M

TotalMolweight : 258.209

Molweight : 258.209

MonoisotopicMass : 258.040249

CLogP : -0.5848

CLogS : -3.919

H Acceptors : 6

TotalSurfaceArea : 198.16

Relative PSA : 0.36259

PolarSurfaceArea : 99.09

Druglikeness : -3.8715

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.68421

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :

Click to Load Molecule:
1 - (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
2 - (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments