(E)-3-(3-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid
Formula:C15H12NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(3-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(3-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid |
| MolecularFormula | C15H12NO2Cl |
| Smiles | Nc1cccc(/C=C(/C(O)=O)\c(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C15H12ClNO2/c16-12-6-4-11(5-7-12)14(15(18)19)9-10-2-1-3-13(17)8-10/h1-9H,17H2,(H,18,19) |
| InChIK | QIACOQUFCZWFHW-UHFFFAOYSA-N |
| TotalMolweight | 273.718 |
| Molweight | 273.718 |
| MonoisotopicMass | 273.055656 |
| CLogP | 2.7394 |
| CLogS | -3.768 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 205.77 |
| Relative PSA | 0.20124 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | 0.56142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| 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 | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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