(E)-3-[4-[(Z)-indazol-1-yliminomethyl]phenyl]prop-2-enoic acid
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(Z)-indazol-1-yliminomethyl]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(Z)-indazol-1-yliminomethyl]phenyl]prop-2-enoic acid |
| MolecularFormula | C17H13N3O2 |
| Smiles | OC(/C=C/c1ccc(/C=N\n2ncc3c2cccc3)cc1)=O |
| InChI | InChI=1S/C17H13N3O2/c21-17(22)10-9-13-5-7-14(8-6-13)11-18-20-16-4-2-1-3-15(16)12-19-20/h1-12H,(H,21,22) |
| InChIK | ODFPKPZHEACGFY-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 2.9357 |
| CLogS | -4.76 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.94 |
| Relative PSA | 0.24028 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.5685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[4-[(Z)-indazol-1-yliminomethyl]phenyl]prop-2-enoic acid | 2 - (E)-3-[4-[(Z)-indazol-1-yliminomethyl]phenyl]prop-2-enoic acid
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