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

C16H9N5F6 | Cheminformatics
Menu

1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide

Molecular Formula : C16H9N5F6 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide is not a drug-like molecule.

MolName : 1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide

MolecularFormula : C16H9N5F6

Smiles : N#C/C(/N=N/c1ccc(C(F)(F)F)cc1)=N/Nc1ccc(C(F)(F)F)cc1

InChI : InChI=1S/C16H9F6N5/c17-15(18,19)10-1-5-12(6-2-10)24-26-14(9-23)27-25-13-7-3-11(4-8-13)16(20,21)22/h1-8,24H

InChIK : IAXHFRVHDQLUHE-UHFFFAOYSA-N

TotalMolweight : 385.27

Molweight : 385.27

MonoisotopicMass : 385.076213

CLogP : 6.0535

CLogS : -5.492

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 271.1

Relative PSA : 0.21966

PolarSurfaceArea : 72.9

Druglikeness : -14.633

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : azo

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 8

StereoCon :

Click to Load Molecule:
1 - 1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
2 - 1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide


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