N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C20H14N6O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C20H14N6O2Cl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C20H14Cl2N6O2/c21-14-6-8-16(17(22)10-14)18-9-7-15(30-18)11-23-24-19(29)12-28-26-20(25-27-28)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,29) |
| InChIK | SVCROHKXVTWDCA-UHFFFAOYSA-N |
| TotalMolweight | 441.277 |
| Molweight | 441.277 |
| MonoisotopicMass | 440.055528 |
| CLogP | 4.6638 |
| CLogS | -6.721 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.28 |
| Relative PSA | 0.27553 |
| PolarSurfaceArea | 98.2 |
| Druglikeness | 2.9755 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
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