(Z)-1-(3,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
Formula:C14H10N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-(3,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one |
| MolecularFormula | C14H10N2OCl2 |
| Smiles | O=C(/C=C\Nc1ncccc1)c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C14H10Cl2N2O/c15-11-5-4-10(9-12(11)16)13(19)6-8-18-14-3-1-2-7-17-14/h1-9H,(H,17,18) |
| InChIK | ZEKVTWOLFYWDAO-UHFFFAOYSA-N |
| TotalMolweight | 293.152 |
| Molweight | 293.152 |
| MonoisotopicMass | 292.017017 |
| CLogP | 3.037 |
| CLogS | -4.988 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.33 |
| Relative PSA | 0.16246 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.65801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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