4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H12N2O3 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cc(O)ccc1)=O |
| InChI | InChI=1S/C14H12N2O3/c17-13-3-1-2-10(8-13)9-15-16-12-6-4-11(5-7-12)14(18)19/h1-9,16-17H,(H,18,19) |
| InChIK | UEXQWIOWOQRKES-UHFFFAOYSA-N |
| TotalMolweight | 256.26 |
| Molweight | 256.26 |
| MonoisotopicMass | 256.084793 |
| CLogP | 3.9803 |
| CLogS | -2.866 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 199.69 |
| Relative PSA | 0.31153 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
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