2-(5-cyclopropyltetrazol-2-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C13H12N6OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(5-cyclopropyltetrazol-2-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-cyclopropyltetrazol-2-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C13H12N6OCl2 |
| Smiles | O=C(Cn1nnc(C2CC2)n1)N/N=C/c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H12Cl2N6O/c14-10-2-1-3-11(15)9(10)6-16-17-12(22)7-21-19-13(18-20-21)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,17,22) |
| InChIK | OEHDAFGGBIPJCI-UHFFFAOYSA-N |
| TotalMolweight | 339.185 |
| Molweight | 339.185 |
| MonoisotopicMass | 338.044963 |
| CLogP | 3.0822 |
| CLogS | -3.357 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 243.59 |
| Relative PSA | 0.31114 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.6674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-(5-cyclopropyltetrazol-2-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(5-cyclopropyltetrazol-2-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
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