[(Z)-[amino(phenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
Formula:C20H14N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino(phenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-[amino(phenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate |
| MolecularFormula | C20H14N2O3 |
| Smiles | N/C(/c1ccccc1)=N\OC(c1ccc(C#Cc2ccccc2)o1)=O |
| InChI | InChI=1S/C20H14N2O3/c21-19(16-9-5-2-6-10-16)22-25-20(23)18-14-13-17(24-18)12-11-15-7-3-1-4-8-15/h1-10,13-14H,(H2,21,22) |
| InChIK | NBDJTCUIQFVXFE-UHFFFAOYSA-N |
| TotalMolweight | 330.342 |
| Molweight | 330.342 |
| MonoisotopicMass | 330.100443 |
| CLogP | 4.4988 |
| CLogS | -4.278 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.51 |
| Relative PSA | 0.23546 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -4.5156 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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