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

C16H11N4O8Cl | Cheminformatics
Menu

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-nitrobenzoate

Molecular Formula : C16H11N4O8Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-nitrobenzoate is not a drug-like molecule.

MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-nitrobenzoate

MolecularFormula : C16H11N4O8Cl

Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(c(cc(cc1)Cl)c1[N+]([O-])=O)=O)=O)=O)=O

InChI : InChI=1S/C16H11ClN4O8/c17-10-3-6-13(21(27)28)12(7-10)16(24)29-8-14(22)18-19-15(23)9-1-4-11(5-2-9)20(25)26/h1-7H,8H2,(H,18,22)(H,19,23)

InChIK : KFULAAPZHCBXAH-UHFFFAOYSA-N

TotalMolweight : 422.736

Molweight : 422.736

MonoisotopicMass : 422.026543

CLogP : -0.0617

CLogS : -4.869

H Acceptors : 12

H Donors : 2

TotalSurfaceArea : 295.71

Relative PSA : 0.44936

PolarSurfaceArea : 176.14

Druglikeness : -2.1751

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 8

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :

Click to Load Molecule:
1 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-nitrobenzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-nitrobenzoate


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