(Z)-2-amino-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]but-2-enedinitrile
Formula:C17H13N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]but-2-enedinitrile |
| MolecularFormula | C17H13N4ClS |
| Smiles | N/C(/C#N)=C(/C#N)\NCc(cccc1)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H13ClN4S/c18-13-5-7-14(8-6-13)23-17-4-2-1-3-12(17)11-22-16(10-20)15(21)9-19/h1-8,22H,11,21H2 |
| InChIK | UTIJARIMGISELY-UHFFFAOYSA-N |
| TotalMolweight | 340.837 |
| Molweight | 340.837 |
| MonoisotopicMass | 340.054943 |
| CLogP | 3.1927 |
| CLogS | -5.367 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 266.01 |
| Relative PSA | 0.26819 |
| PolarSurfaceArea | 110.93 |
| Druglikeness | -4.8434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-amino-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]but-2-enedinitrile | 2 - (Z)-2-amino-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]but-2-enedinitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off