(E)-4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-oxobut-2-enoic acid
Formula:C11H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C11H10N2O4 |
| Smiles | OC(/C=C/C(N/N=C\c1cc(O)ccc1)=O)=O |
| InChI | InChI=1S/C11H10N2O4/c14-9-3-1-2-8(6-9)7-12-13-10(15)4-5-11(16)17/h1-7,14H,(H,13,15)(H,16,17) |
| InChIK | KXLSJLKMENGRBS-UHFFFAOYSA-N |
| TotalMolweight | 234.21 |
| Molweight | 234.21 |
| MonoisotopicMass | 234.064058 |
| CLogP | 0.7924 |
| CLogS | -2.042 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 184.18 |
| Relative PSA | 0.40857 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 4.2615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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