3,4-dichloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C15H12N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C15H12N4O2Cl2 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H12Cl2N4O2/c16-12-2-1-11(7-13(12)17)15(23)19-9-14(22)21-20-8-10-3-5-18-6-4-10/h1-8H,9H2,(H,19,23)(H,21,22) |
| InChIK | NMTJHTBCUTUKFY-UHFFFAOYSA-N |
| TotalMolweight | 351.192 |
| Molweight | 351.192 |
| MonoisotopicMass | 350.03373 |
| CLogP | 2.4964 |
| CLogS | -4.165 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 259.56 |
| Relative PSA | 0.27539 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 5.3537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
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