(4Z)-4-(1,2-benzothiazol-3-ylhydrazinylidene)-4-phenylbutanoic acid
Formula:C17H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(1,2-benzothiazol-3-ylhydrazinylidene)-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-(1,2-benzothiazol-3-ylhydrazinylidene)-4-phenylbutanoic acid |
| MolecularFormula | C17H15N3O2S |
| Smiles | OC(CC/C(/c1ccccc1)=N/Nc1nsc2c1cccc2)=O |
| InChI | InChI=1S/C17H15N3O2S/c21-16(22)11-10-14(12-6-2-1-3-7-12)18-19-17-13-8-4-5-9-15(13)23-20-17/h1-9H,10-11H2,(H,19,20)(H,21,22) |
| InChIK | XNMFRWLTXTZHEY-UHFFFAOYSA-N |
| TotalMolweight | 325.391 |
| Molweight | 325.391 |
| MonoisotopicMass | 325.088497 |
| CLogP | 4.6441 |
| CLogS | -3.628 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.37 |
| Relative PSA | 0.32387 |
| PolarSurfaceArea | 102.82 |
| Druglikeness | 0.78975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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