(Z)-4-oxo-4-[2-(2-phenylcyclopropanecarbonyl)hydrazinyl]but-2-enoic acid
Formula:C14H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-oxo-4-[2-(2-phenylcyclopropanecarbonyl)hydrazinyl]but-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-oxo-4-[2-(2-phenylcyclopropanecarbonyl)hydrazinyl]but-2-enoic acid |
| MolecularFormula | C14H14N2O4 |
| Smiles | OC(/C=C\C(NNC(C(C1)C1c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C14H14N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,17)(H,16,20)(H,18,19) |
| InChIK | LNTZNXCWGIGMBO-UHFFFAOYSA-N |
| TotalMolweight | 274.275 |
| Molweight | 274.275 |
| MonoisotopicMass | 274.095358 |
| CLogP | 0.1728 |
| CLogS | -2.506 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 207.54 |
| Relative PSA | 0.36205 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 3.3515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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