MolName : (E)-[(4-chlorophenyl)-morpholin-4-ylmethylidene]hydrazine |
MolecularFormula : C11H14N3OCl |
Smiles : N/N=C(\c(cc1)ccc1Cl)/N1CCOCC1 |
InChI : InChI=1S/C11H14ClN3O/c12-10-3-1-9(2-4-10)11(14-13)15-5-7-16-8-6-15/h1-4H,5-8,13H2 |
InChIK : VQUOXJSYYUENBE-UHFFFAOYSA-N |
TotalMolweight : 239.705 |
Molweight : 239.705 |
MonoisotopicMass : 239.082539 |
CLogP : 1.9138 |
CLogS : -2.515 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 182.01 |
Relative PSA : 0.22158 |
PolarSurfaceArea : 50.85 |
Druglikeness : -0.12158 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |