4-[(Z)-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)hydrazinylidene]methyl]benzoic acid
Formula:C18H13N4O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C18H13N4O3Cl |
| Smiles | OC(c1ccc(/C=N\NC(C=NN(c2ccccc2)C2=O)=C2Cl)cc1)=O |
| InChI | InChI=1S/C18H13ClN4O3/c19-16-15(11-21-23(17(16)24)14-4-2-1-3-5-14)22-20-10-12-6-8-13(9-7-12)18(25)26/h1-11,22H,(H,25,26) |
| InChIK | WSWOAZNJZCMGPA-UHFFFAOYSA-N |
| TotalMolweight | 368.779 |
| Molweight | 368.779 |
| MonoisotopicMass | 368.067618 |
| CLogP | 3.0859 |
| CLogS | -4.598 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 270.99 |
| Relative PSA | 0.28492 |
| PolarSurfaceArea | 94.36 |
| Druglikeness | 3.2476 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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