N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H13N6OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H13N6OCl |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H13ClN6O/c17-14-8-4-5-12(9-14)10-18-19-15(24)11-23-21-16(20-22-23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24) |
| InChIK | YIBDAPFLWJVMNF-UHFFFAOYSA-N |
| TotalMolweight | 340.773 |
| Molweight | 340.773 |
| MonoisotopicMass | 340.083936 |
| CLogP | 3.1189 |
| CLogS | -4.525 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 261.41 |
| Relative PSA | 0.28993 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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