N-[(Z)-furan-3-ylmethylideneamino]-2-phenylbenzotriazol-5-amine
Formula:C17H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-3-ylmethylideneamino]-2-phenylbenzotriazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-3-ylmethylideneamino]-2-phenylbenzotriazol-5-amine |
| MolecularFormula | C17H13N5O |
| Smiles | C(c1cocc1)=N\Nc1cc2nn(-c3ccccc3)nc2cc1 |
| InChI | InChI=1S/C17H13N5O/c1-2-4-15(5-3-1)22-20-16-7-6-14(10-17(16)21-22)19-18-11-13-8-9-23-12-13/h1-12,19H |
| InChIK | SABMWDZSMWQLGV-UHFFFAOYSA-N |
| TotalMolweight | 303.324 |
| Molweight | 303.324 |
| MonoisotopicMass | 303.11201 |
| CLogP | 4.6519 |
| CLogS | -3.728 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.01 |
| Relative PSA | 0.27453 |
| PolarSurfaceArea | 68.24 |
| Druglikeness | 3.6023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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