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

C15H10N2O2ClF3S | Cheminformatics
Menu

4-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-3-ylbutan-2-ylidene)amino]benzamide

Molecular Formula : C15H10N2O2ClF3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-3-ylbutan-2-ylidene)amino]benzamide is a drug-like molecule.

MolName : 4-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-3-ylbutan-2-ylidene)amino]benzamide

MolecularFormula : C15H10N2O2ClF3S

Smiles : O=C(C/C(/C(F)(F)F)=N/NC(c(cc1)ccc1Cl)=O)c1cscc1

InChI : InChI=1S/C15H10ClF3N2O2S/c16-11-3-1-9(2-4-11)14(23)21-20-13(15(17,18)19)7-12(22)10-5-6-24-8-10/h1-6,8H,7H2,(H,21,23)

InChIK : LBBRBXPDHKCILK-UHFFFAOYSA-N

TotalMolweight : 374.769

Molweight : 374.769

MonoisotopicMass : 374.010359

CLogP : 3.87

CLogS : -5.649

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 257.53

Relative PSA : 0.26952

PolarSurfaceArea : 86.77

Druglikeness : -7.1327

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 4

StereoCon :

Click to Load Molecule:
1 - 4-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-3-ylbutan-2-ylidene)amino]benzamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 4-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-3-ylbutan-2-ylidene)amino]benzamide


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