MolName : (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
MolecularFormula : C25H14N2O3F2S2 |
Smiles : O=C(/C(/SC1=S)=C/c2ccc(-c(cc3)ccc3F)o2)N1/N=C\c1ccc(-c(cc2)ccc2F)o1 |
InChI : InChI=1S/C25H14F2N2O3S2/c26-17-5-1-15(2-6-17)21-11-9-19(31-21)13-23-24(30)29(25(33)34-23)28-14-20-10-12-22(32-20)16-3-7-18(27)8-4-16/h1-14H |
InChIK : ZVACYVGSORSOJK-UHFFFAOYSA-N |
TotalMolweight : 492.525 |
Molweight : 492.525 |
MonoisotopicMass : 492.041389 |
CLogP : 5.1346 |
CLogS : -8.643 |
H Acceptors : 5 |
TotalSurfaceArea : 358.84 |
Relative PSA : 0.28372 |
PolarSurfaceArea : 116.34 |
Druglikeness : 5.6184 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.64706 |
Fragments : 1 |
Non HAtoms : 34 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |