[(Z)-(3-chloro-1H-inden-2-yl)methylideneamino]thiourea
Formula:C11H10N3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-chloro-1H-inden-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-chloro-1H-inden-2-yl)methylideneamino]thiourea |
| MolecularFormula | C11H10N3ClS |
| Smiles | NC(N/N=C\C(Cc1c2cccc1)=C2Cl)=S |
| InChI | InChI=1S/C11H10ClN3S/c12-10-8(6-14-15-11(13)16)5-7-3-1-2-4-9(7)10/h1-4,6H,5H2,(H3,13,15,16) |
| InChIK | OCRRMOLLRLXMRI-UHFFFAOYSA-N |
| TotalMolweight | 251.74 |
| Molweight | 251.74 |
| MonoisotopicMass | 251.028394 |
| CLogP | 2.158 |
| CLogS | -2.512 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 189.31 |
| Relative PSA | 0.3499 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 2.7429 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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