4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid
Formula:C16H13N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C16H13N2O2FS |
| Smiles | OC(c(cc1)ccc1N/N=C1\c(cc(cc2)F)c2SCC1)=O |
| InChI | InChI=1S/C16H13FN2O2S/c17-11-3-6-15-13(9-11)14(7-8-22-15)19-18-12-4-1-10(2-5-12)16(20)21/h1-6,9,18H,7-8H2,(H,20,21) |
| InChIK | BOKCCRRGLIKOGJ-UHFFFAOYSA-N |
| TotalMolweight | 316.355 |
| Molweight | 316.355 |
| MonoisotopicMass | 316.068176 |
| CLogP | 4.1322 |
| CLogS | -4.732 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 229.41 |
| Relative PSA | 0.29031 |
| PolarSurfaceArea | 86.99 |
| Druglikeness | 0.15236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid
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