(E)-4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C10H8N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C10H8N2O3Cl2 |
| Smiles | OC(/C=C/C(NNc(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C10H8Cl2N2O3/c11-6-1-2-8(7(12)5-6)13-14-9(15)3-4-10(16)17/h1-5,13H,(H,14,15)(H,16,17) |
| InChIK | NPQMCIIBDCJHHP-UHFFFAOYSA-N |
| TotalMolweight | 275.091 |
| Molweight | 275.091 |
| MonoisotopicMass | 273.991197 |
| CLogP | 2.4054 |
| CLogS | -2.827 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 195.37 |
| Relative PSA | 0.31786 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 2.0696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(2,4-dichlorophenyl)hydrazinyl]-4-oxobut-2-enoic acid
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