(Z)-2-bromo-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-en-1-imine
Formula:C19H18N2O3BrClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z)-2-bromo-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z)-2-bromo-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C19H18N2O3BrClS |
| Smiles | O=S(c(cc(cc1)/N=C/C(/Br)=C/c2ccccc2)c1Cl)(N1CCOCC1)=O |
| InChI | InChI=1S/C19H18BrClN2O3S/c20-16(12-15-4-2-1-3-5-15)14-22-17-6-7-18(21)19(13-17)27(24,25)23-8-10-26-11-9-23/h1-7,12-14H,8-11H2 |
| InChIK | ZORUVAJVMKHOTI-UHFFFAOYSA-N |
| TotalMolweight | 469.786 |
| Molweight | 469.786 |
| MonoisotopicMass | 467.991001 |
| CLogP | 3.2931 |
| CLogS | -4.225 |
| H Acceptors | 5 |
| TotalSurfaceArea | 306.96 |
| Relative PSA | 0.17475 |
| PolarSurfaceArea | 67.35 |
| Druglikeness | -5.5084 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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