N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
Formula:C18H15N2OBrCl2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C18H15N2OBrCl2S |
| Smiles | O=C(CSCc(c(Cl)ccc1)c1Cl)NN=C/C(/Br)=C/c1ccccc1 |
| InChI | InChI=1S/C18H15BrCl2N2OS/c19-14(9-13-5-2-1-3-6-13)10-22-23-18(24)12-25-11-15-16(20)7-4-8-17(15)21/h1-10H,11-12H2,(H,23,24) |
| InChIK | GJNLPZMVCLVRGU-UHFFFAOYSA-N |
| TotalMolweight | 458.206 |
| Molweight | 458.206 |
| MonoisotopicMass | 455.946548 |
| CLogP | 5.2141 |
| CLogS | -7.104 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 306.18 |
| Relative PSA | 0.17473 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -0.4023 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide | 2 - N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
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