2-(5-aminotetrazol-1-yl)-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
Formula:C19H17N8OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C19H17N8OCl |
| Smiles | Nc1nnnn1CC(N/N=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2)=O |
| InChI | InChI=1S/C19H17ClN8O/c20-15-7-5-13(6-8-15)10-27-11-14(16-3-1-2-4-17(16)27)9-22-23-18(29)12-28-19(21)24-25-26-28/h1-9,11H,10,12H2,(H,23,29)(H2,21,24,26) |
| InChIK | PQQQOMIYYUOAPW-UHFFFAOYSA-N |
| TotalMolweight | 408.852 |
| Molweight | 408.852 |
| MonoisotopicMass | 408.121384 |
| CLogP | 2.3162 |
| CLogS | -4.58 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 307.49 |
| Relative PSA | 0.31848 |
| PolarSurfaceArea | 116.01 |
| Druglikeness | 4.9452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide | 2 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
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