(E)-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C11H8N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C11H8N2O4Cl2 |
| Smiles | OC(/C=C/C(NNC(c(ccc(Cl)c1)c1Cl)=O)=O)=O |
| InChI | InChI=1S/C11H8Cl2N2O4/c12-6-1-2-7(8(13)5-6)11(19)15-14-9(16)3-4-10(17)18/h1-5H,(H,14,16)(H,15,19)(H,17,18) |
| InChIK | UVLKLXAGHNEJRK-UHFFFAOYSA-N |
| TotalMolweight | 303.101 |
| Molweight | 303.101 |
| MonoisotopicMass | 301.986112 |
| CLogP | 0.7661 |
| CLogS | -3.399 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 213.12 |
| Relative PSA | 0.35257 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 2.0696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-dichlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
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