(S)-(4-amino-3,5-dichlorophenyl)-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]methanol
Formula:C13H12N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(S)-(4-amino-3,5-dichlorophenyl)-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]methanol is a drug-like molecule.
| MolName | (S)-(4-amino-3,5-dichlorophenyl)-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]methanol |
| MolecularFormula | C13H12N4OCl2 |
| Smiles | Nc(c(Cl)cc([C@@H](N/N=C\c1cnccc1)O)c1)c1Cl |
| InChI | InChI=1S/C13H12Cl2N4O/c14-10-4-9(5-11(15)12(10)16)13(20)19-18-7-8-2-1-3-17-6-8/h1-7,13,19-20H,16H2/t13-/m0/s1 |
| InChIK | MASBGHPBNBRRSC-ZDUSSCGKSA-N |
| TotalMolweight | 311.171 |
| Molweight | 311.171 |
| MonoisotopicMass | 310.038815 |
| CLogP | 2.5458 |
| CLogS | -4.026 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 226.21 |
| Relative PSA | 0.27545 |
| PolarSurfaceArea | 83.53 |
| Druglikeness | 2.6711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (S)-(4-amino-3,5-dichlorophenyl)-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]methanol | 2 - (S)-(4-amino-3,5-dichlorophenyl)-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]methanol
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