[(E)-[amino(phenyl)methylidene]amino] (E)-3-phenylprop-2-enoate
Formula:C16H14N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C16H14N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C16H14N2O2/c17-16(14-9-5-2-6-10-14)18-20-15(19)12-11-13-7-3-1-4-8-13/h1-12H,(H2,17,18) |
| InChIK | BMMPZWHPWPTZSM-UHFFFAOYSA-N |
| TotalMolweight | 266.299 |
| Molweight | 266.299 |
| MonoisotopicMass | 266.105528 |
| CLogP | 3.4013 |
| CLogS | -3.906 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.76 |
| Relative PSA | 0.22774 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.5096 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(phenyl)methylidene]amino] (E)-3-phenylprop-2-enoate | 2 - [(E)-[amino(phenyl)methylidene]amino] (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off