N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C20H15N6O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C20H15N6O2Cl |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C20H15ClN6O2/c21-17-9-5-4-8-16(17)18-11-10-15(29-18)12-22-23-19(28)13-27-25-20(24-26-27)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,28) |
| InChIK | LPLQGGITJNAPIS-UHFFFAOYSA-N |
| TotalMolweight | 406.832 |
| Molweight | 406.832 |
| MonoisotopicMass | 406.094501 |
| CLogP | 4.0578 |
| CLogS | -5.985 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 310.86 |
| Relative PSA | 0.2892 |
| 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 | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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