MolName : N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine |
MolecularFormula : C18H14N3O2ClS |
Smiles : Clc1c(/C=N\Nc2nc(-c(cc3)cc4c3OCCO4)cs2)cccc1 |
InChI : InChI=1S/C18H14ClN3O2S/c19-14-4-2-1-3-13(14)10-20-22-18-21-15(11-25-18)12-5-6-16-17(9-12)24-8-7-23-16/h1-6,9-11H,7-8H2,(H,21,22) |
InChIK : MTMVHKHACAOFSH-UHFFFAOYSA-N |
TotalMolweight : 371.847 |
Molweight : 371.847 |
MonoisotopicMass : 371.049524 |
CLogP : 6.8012 |
CLogS : -5.578 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 273.14 |
Relative PSA : 0.27202 |
PolarSurfaceArea : 83.98 |
Druglikeness : -3.3287 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |