N-[(Z)-(4-chlorophenyl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
Formula:C14H9N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide |
| MolecularFormula | C14H9N4O2Cl |
| Smiles | O=C(c1cc2nonc2cc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H9ClN4O2/c15-11-4-1-9(2-5-11)8-16-17-14(20)10-3-6-12-13(7-10)19-21-18-12/h1-8H,(H,17,20) |
| InChIK | CKWIWUIRQRXLQG-UHFFFAOYSA-N |
| TotalMolweight | 300.704 |
| Molweight | 300.704 |
| MonoisotopicMass | 300.041403 |
| CLogP | 3.7583 |
| CLogS | -4.096 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.22 |
| Relative PSA | 0.32138 |
| PolarSurfaceArea | 80.38 |
| Druglikeness | 6.3355 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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