N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
Molecular Formula : C17H8N2OBrF5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
MolName : N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline |
MolecularFormula : C17H8N2OBrF5 |
Smiles : Fc(c(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)c(c(F)c1F)F)c1F |
InChI : InChI=1S/C17H8BrF5N2O/c18-9-3-1-8(2-4-9)11-6-5-10(26-11)7-24-25-17-15(22)13(20)12(19)14(21)16(17)23/h1-7,25H |
InChIK : OZDSIHCEQOSVJS-UHFFFAOYSA-N |
TotalMolweight : 431.158 |
Molweight : 431.158 |
MonoisotopicMass : 429.974014 |
CLogP : 7.009 |
CLogS : -7.013 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 269.07 |
Relative PSA : 0.13781 |
PolarSurfaceArea : 37.53 |
Druglikeness : 1.2445 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde; polyhalo aromatic ring |
Shape Index : 0.61538 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
StereoCon : |
1 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
2 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |