(Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one
Formula:C14H10N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one |
| MolecularFormula | C14H10N2OBrCl |
| Smiles | O=C(/C=C\Nc(cc1)ncc1Cl)c(cc1)ccc1Br |
| InChI | InChI=1S/C14H10BrClN2O/c15-11-3-1-10(2-4-11)13(19)7-8-17-14-6-5-12(16)9-18-14/h1-9H,(H,17,18) |
| InChIK | XELARUUIJDVDCC-UHFFFAOYSA-N |
| TotalMolweight | 337.603 |
| Molweight | 337.603 |
| MonoisotopicMass | 335.966501 |
| CLogP | 3.1562 |
| CLogS | -5.086 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.54 |
| Relative PSA | 0.16011 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -1.132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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