2-(benzotriazol-1-yl)-N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H14N5O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(benzotriazol-1-yl)-N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N5O2Cl |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C19H14ClN5O2/c20-15-6-2-1-5-14(15)18-10-9-13(27-18)11-21-23-19(26)12-25-17-8-4-3-7-16(17)22-24-25/h1-11H,12H2,(H,23,26) |
| InChIK | PTKXFXMRVPRJDK-UHFFFAOYSA-N |
| TotalMolweight | 379.806 |
| Molweight | 379.806 |
| MonoisotopicMass | 379.083602 |
| CLogP | 3.3884 |
| CLogS | -5.536 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286.94 |
| Relative PSA | 0.27507 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 3.1176 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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