N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylsulfanylpropanamide
Formula:C16H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylsulfanylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylsulfanylpropanamide |
| MolecularFormula | C16H15N2OClS |
| Smiles | O=C(CCSc1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H15ClN2OS/c17-15-9-5-4-6-13(15)12-18-19-16(20)10-11-21-14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,20) |
| InChIK | LRTVGTBGSXYRTA-UHFFFAOYSA-N |
| TotalMolweight | 318.827 |
| Molweight | 318.827 |
| MonoisotopicMass | 318.05936 |
| CLogP | 4.4748 |
| CLogS | -5.269 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.42 |
| Relative PSA | 0.21623 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.4962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylsulfanylpropanamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylsulfanylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off