MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
MolecularFormula : C24H20N2O3S |
Smiles : O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c1c2OCCOc2ccc1 |
InChI : InChI=1S/C24H20N2O3S/c27-22(26-25-14-16-6-5-11-21-23(16)29-13-12-28-21)15-30-24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-11,14,24H,12-13,15H2,(H,26,27) |
InChIK : LNNPNVLYFZCTFW-UHFFFAOYSA-N |
TotalMolweight : 416.5 |
Molweight : 416.5 |
MonoisotopicMass : 416.119463 |
CLogP : 4.7307 |
CLogS : -8.12 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 311.02 |
Relative PSA : 0.23632 |
PolarSurfaceArea : 85.22 |
Druglikeness : -1.4 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.53333 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |