(Z)-3-(4-aminophenyl)-2-phenylprop-2-enoate
Formula:C15H12NO2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(Z)-3-(4-aminophenyl)-2-phenylprop-2-enoate is a drug-like molecule.
| MolName | (Z)-3-(4-aminophenyl)-2-phenylprop-2-enoate |
| MolecularFormula | C15H12NO2 |
| Smiles | Nc1ccc(/C=C(\C([O-])=O)/c2ccccc2)cc1 |
| InChI | InChI=1S/C15H13NO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,16H2,(H,17,18)/p-1 |
| InChIK | JUNKSIZZYOCSGW-UHFFFAOYSA-M |
| TotalMolweight | 238.265 |
| Molweight | 238.265 |
| MonoisotopicMass | 238.086804 |
| CLogP | 0.0574 |
| CLogS | -3.032 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.53 |
| Relative PSA | 0.22237 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 0.52712 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(4-aminophenyl)-2-phenylprop-2-enoate | 2 - (Z)-3-(4-aminophenyl)-2-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off