3-[[4-chloro-5-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Formula:C23H16N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[4-chloro-5-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[[4-chloro-5-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid |
| MolecularFormula | C23H16N3O5ClS |
| Smiles | OC(c1cccc(CN(C(Cl)=C(/C=N\NC(c2cc3ccccc3cc2O)=O)S2)C2=O)c1)=O |
| InChI | InChI=1S/C23H16ClN3O5S/c24-20-19(33-23(32)27(20)12-13-4-3-7-16(8-13)22(30)31)11-25-26-21(29)17-9-14-5-1-2-6-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29)(H,30,31) |
| InChIK | JTKJNYPWSRXMMI-UHFFFAOYSA-N |
| TotalMolweight | 481.915 |
| Molweight | 481.915 |
| MonoisotopicMass | 481.049919 |
| CLogP | 3.9057 |
| CLogS | -6.651 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 336.18 |
| Relative PSA | 0.32521 |
| PolarSurfaceArea | 144.6 |
| Druglikeness | 7.2604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[[4-chloro-5-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid | 2 - 3-[[4-chloro-5-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off