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

C22H14N5OClF6 | Cheminformatics
Menu

(2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide

Molecular Formula : C22H14N5OClF6 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is not a drug-like molecule.

MolName : (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide

MolecularFormula : C22H14N5OClF6

Smiles : O=C(/C(/N=N/c1ccc(C(F)(F)F)cc1)=N/Nc1ccc(C(F)(F)F)cc1)Nc(cc1)ccc1Cl

InChI : InChI=1S/C22H14ClF6N5O/c23-15-5-11-16(12-6-15)30-20(35)19(33-31-17-7-1-13(2-8-17)21(24,25)26)34-32-18-9-3-14(4-10-18)22(27,28)29/h1-12,31H,(H,30,35)

InChIK : YEAORNQROJPDAE-UHFFFAOYSA-N

TotalMolweight : 513.828

Molweight : 513.828

MonoisotopicMass : 513.079105

CLogP : 7.8

CLogS : -7.054

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 353.78

Relative PSA : 0.19925

PolarSurfaceArea : 78.21

Druglikeness : -7.9941

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : azo

Shape Index : 0.48571

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 10

Amides : 1

StereoCon :

Click to Load Molecule:
1 - (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
2 - (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide


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