[(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea
Formula:C10H10N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea |
| MolecularFormula | C10H10N3OClS |
| Smiles | NC(N/N=C1\c(cc(cc2)Cl)c2OCC1)=S |
| InChI | InChI=1S/C10H10ClN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16) |
| InChIK | KXIIIXKLZWIYAI-UHFFFAOYSA-N |
| TotalMolweight | 255.728 |
| Molweight | 255.728 |
| MonoisotopicMass | 255.023309 |
| CLogP | 2.2217 |
| CLogS | -4.128 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 188.36 |
| Relative PSA | 0.40476 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 1.0645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea | 2 - [(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea
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