(E)-4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobut-2-enoic acid
Formula:C14H14N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C14H14N2O5Cl2 |
| Smiles | OC(/C=C/C(NNC(CCCOc(ccc(Cl)c1)c1Cl)=O)=O)=O |
| InChI | InChI=1S/C14H14Cl2N2O5/c15-9-3-4-11(10(16)8-9)23-7-1-2-12(19)17-18-13(20)5-6-14(21)22/h3-6,8H,1-2,7H2,(H,17,19)(H,18,20)(H,21,22) |
| InChIK | SKGHAUBRYOLAAU-UHFFFAOYSA-N |
| TotalMolweight | 361.18 |
| Molweight | 361.18 |
| MonoisotopicMass | 360.027977 |
| CLogP | 1.2498 |
| CLogS | -3.719 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 264.4 |
| Relative PSA | 0.32201 |
| PolarSurfaceArea | 104.73 |
| Druglikeness | -1.9367 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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