2-[(Z)-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C17H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H18N4O4S |
| Smiles | OC(c1c(/C=N\NC(Cc2csc(N3CCOCC3)n2)=O)cccc1)=O |
| InChI | InChI=1S/C17H18N4O4S/c22-15(20-18-10-12-3-1-2-4-14(12)16(23)24)9-13-11-26-17(19-13)21-5-7-25-8-6-21/h1-4,10-11H,5-9H2,(H,20,22)(H,23,24) |
| InChIK | AOKHSSKVXYJFFB-UHFFFAOYSA-N |
| TotalMolweight | 374.42 |
| Molweight | 374.42 |
| MonoisotopicMass | 374.104876 |
| CLogP | 1.8627 |
| CLogS | -3.559 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 281.39 |
| Relative PSA | 0.38036 |
| PolarSurfaceArea | 132.36 |
| Druglikeness | 6.1167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoic acid
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