| MolName | (E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid |
| MolecularFormula | C15H14N2O2 |
| Smiles | Nc(cc1)ccc1/C(/C(O)=O)=C\c(cccc1)c1N |
| InChI | InChI=1S/C15H14N2O2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,16-17H2,(H,18,19) |
| InChIK | DDYPCFVOYMWXCZ-UHFFFAOYSA-N |
| TotalMolweight | 254.288 |
| Molweight | 254.288 |
| MonoisotopicMass | 254.105528 |
| CLogP | 1.4561 |
| CLogS | -3.108 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 198.87 |
| Relative PSA | 0.28501 |
| PolarSurfaceArea | 89.34 |
| Druglikeness | 0.46659 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid | 2 - (E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid