[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]thiourea
Formula:C10H10N3BrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]thiourea |
| MolecularFormula | C10H10N3BrS |
| Smiles | NC(N/N=C\C(\Br)=C\c1ccccc1)=S |
| InChI | InChI=1S/C10H10BrN3S/c11-9(7-13-14-10(12)15)6-8-4-2-1-3-5-8/h1-7H,(H3,12,14,15) |
| InChIK | YFFZKDMAFFSNTO-UHFFFAOYSA-N |
| TotalMolweight | 284.18 |
| Molweight | 284.18 |
| MonoisotopicMass | 282.977878 |
| CLogP | 2.1429 |
| CLogS | -4.023 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 194.05 |
| Relative PSA | 0.34136 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -2.7847 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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