| MolName | [(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate |
| MolecularFormula | C16H13N3O3Cl2 |
| Smiles | O=C(C/C=N\OC(Nc1ccccc1)=O)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H13Cl2N3O3/c17-11-6-7-14(13(18)10-11)21-15(22)8-9-19-24-16(23)20-12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,20,23)(H,21,22) |
| InChIK | WVJNRGUUPHPYKK-UHFFFAOYSA-N |
| TotalMolweight | 366.203 |
| Molweight | 366.203 |
| MonoisotopicMass | 365.033396 |
| CLogP | 4.2098 |
| CLogS | -5.755 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 270.8 |
| Relative PSA | 0.26038 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -5.0455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate | 2 - [(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate