N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C17H14N6O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C17H14N6O2F2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H14F2N6O2/c18-17(19)27-14-8-6-12(7-9-14)10-20-21-15(26)11-25-23-16(22-24-25)13-4-2-1-3-5-13/h1-10,17H,11H2,(H,21,26) |
| InChIK | IYQXXBFMMUNRCV-UHFFFAOYSA-N |
| TotalMolweight | 372.334 |
| Molweight | 372.334 |
| MonoisotopicMass | 372.11463 |
| CLogP | 2.6823 |
| CLogS | -4.411 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 281.19 |
| Relative PSA | 0.3051 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | -1.8825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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