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

C15H9NO5 | Cheminformatics
Menu

7-hydroxy-4-(4-nitrophenyl)chromen-2-one

Molecular Formula : C15H9NO5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
7-hydroxy-4-(4-nitrophenyl)chromen-2-one is a drug-like molecule.

MolName : 7-hydroxy-4-(4-nitrophenyl)chromen-2-one

MolecularFormula : C15H9NO5

Smiles : [O-][N+](c(cc1)ccc1C(c(ccc(O)c1)c1O1)=CC1=O)=O

InChI : InChI=1S/C15H9NO5/c17-11-5-6-12-13(8-15(18)21-14(12)7-11)9-1-3-10(4-2-9)16(19)20/h1-8,17H

InChIK : RDKUUACFEGXQFP-UHFFFAOYSA-N

TotalMolweight : 283.238

Molweight : 283.238

MonoisotopicMass : 283.048074

CLogP : 1.7282

CLogS : -3.739

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 202

Relative PSA : 0.3295

PolarSurfaceArea : 92.35

Druglikeness : -7.6915

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - 7-hydroxy-4-(4-nitrophenyl)chromen-2-one
2 - 7-hydroxy-4-(4-nitrophenyl)chromen-2-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 7-hydroxy-4-(4-nitrophenyl)chromen-2-one


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