N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
Formula:C14H16N7OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide |
| MolecularFormula | C14H16N7OCl |
| Smiles | O=C(Cn1nnc(N2CCCC2)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H16ClN7O/c15-12-5-3-11(4-6-12)9-16-17-13(23)10-22-19-14(18-20-22)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10H2,(H,17,23) |
| InChIK | BOYBVDWPQVVGRU-UHFFFAOYSA-N |
| TotalMolweight | 333.782 |
| Molweight | 333.782 |
| MonoisotopicMass | 333.110485 |
| CLogP | 2.3364 |
| CLogS | -3.373 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 253.49 |
| Relative PSA | 0.31299 |
| PolarSurfaceArea | 88.3 |
| Druglikeness | 2.5429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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