(Z)-1-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C19H16N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C19H16N5OCl |
| Smiles | Clc(cccc1)c1OCCn1c(cccc2)c2c(/C=N\n2cnnc2)c1 |
| InChI | InChI=1S/C19H16ClN5O/c20-17-6-2-4-8-19(17)26-10-9-24-12-15(11-23-25-13-21-22-14-25)16-5-1-3-7-18(16)24/h1-8,11-14H,9-10H2 |
| InChIK | KVHQGPOEXICDSN-UHFFFAOYSA-N |
| TotalMolweight | 365.823 |
| Molweight | 365.823 |
| MonoisotopicMass | 365.104337 |
| CLogP | 3.2812 |
| CLogS | -6.189 |
| H Acceptors | 6 |
| TotalSurfaceArea | 281 |
| Relative PSA | 0.20352 |
| PolarSurfaceArea | 57.23 |
| Druglikeness | 5.2162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-1-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
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