4-[(E)-2-phenylethenyl]benzene-1,3-diamine
Formula:C14H14N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-phenylethenyl]benzene-1,3-diamine is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]benzene-1,3-diamine |
| MolecularFormula | C14H14N2 |
| Smiles | Nc1cc(N)c(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C14H14N2/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H,15-16H2 |
| InChIK | CJPWKEPBOOUUOE-UHFFFAOYSA-N |
| TotalMolweight | 210.279 |
| Molweight | 210.279 |
| MonoisotopicMass | 210.115698 |
| CLogP | 2.512 |
| CLogS | -3.904 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 176.56 |
| Relative PSA | 0.17297 |
| PolarSurfaceArea | 52.04 |
| Druglikeness | -1.4351 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1,3-diamino-aryl |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(E)-2-phenylethenyl]benzene-1,3-diamine | 2 - 4-[(E)-2-phenylethenyl]benzene-1,3-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off