(E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
Formula:C14H10N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid |
| MolecularFormula | C14H10N4O3 |
| Smiles | OC(/C(/n1nnnc1-c1ccccc1)=C\c1ccco1)=O |
| InChI | InChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20) |
| InChIK | YVQAGBCKIDNFLC-UHFFFAOYSA-N |
| TotalMolweight | 282.258 |
| Molweight | 282.258 |
| MonoisotopicMass | 282.075291 |
| CLogP | 1.76 |
| CLogS | -4.704 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 216.76 |
| Relative PSA | 0.36921 |
| PolarSurfaceArea | 94.04 |
| Druglikeness | 1.641 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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