1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide
Formula:C16H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide is a drug-like molecule.
| MolName | 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide |
| MolecularFormula | C16H14N3OCl |
| Smiles | N/C(/c1cn(Cc(cccc2)c2Cl)c2c1cccc2)=N/O |
| InChI | InChI=1S/C16H14ClN3O/c17-14-7-3-1-5-11(14)9-20-10-13(16(18)19-21)12-6-2-4-8-15(12)20/h1-8,10,21H,9H2,(H2,18,19) |
| InChIK | CGJAPMYANVMDFR-UHFFFAOYSA-N |
| TotalMolweight | 299.76 |
| Molweight | 299.76 |
| MonoisotopicMass | 299.082539 |
| CLogP | 3.504 |
| CLogS | -3.794 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.84 |
| Relative PSA | 0.20885 |
| PolarSurfaceArea | 63.54 |
| Druglikeness | 1.6319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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