N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide
Formula:C15H17N7OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide |
| MolecularFormula | C15H17N7OCl2 |
| Smiles | O=C(Cn1nnc(N2CCCCC2)n1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H17Cl2N7O/c16-12-5-4-11(13(17)8-12)9-18-19-14(25)10-24-21-15(20-22-24)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7,10H2,(H,19,25) |
| InChIK | XDJNSUOSPHDSJE-UHFFFAOYSA-N |
| TotalMolweight | 382.254 |
| Molweight | 382.254 |
| MonoisotopicMass | 381.087162 |
| CLogP | 3.2844 |
| CLogS | -4.379 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 282.67 |
| Relative PSA | 0.28068 |
| PolarSurfaceArea | 88.3 |
| Druglikeness | 1.0265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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