N-(1-butyl-2-hydroxyindol-3-yl)imino-2-(3-methylphenoxy)acetamide
Formula:C21H23N3O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-(1-butyl-2-hydroxyindol-3-yl)imino-2-(3-methylphenoxy)acetamide is a drug-like molecule.
| MolName | N-(1-butyl-2-hydroxyindol-3-yl)imino-2-(3-methylphenoxy)acetamide |
| MolecularFormula | C21H23N3O3 |
| Smiles | CCCCn(c1c2cccc1)c(O)c2/N=N/C(COc1cc(C)ccc1)=O |
| InChI | InChI=1S/C21H23N3O3/c1-3-4-12-24-18-11-6-5-10-17(18)20(21(24)26)23-22-19(25)14-27-16-9-7-8-15(2)13-16/h5-11,13,26H,3-4,12,14H2,1-2H3 |
| InChIK | YQEXQMWGBQECPN-UHFFFAOYSA-N |
| TotalMolweight | 365.432 |
| Molweight | 365.432 |
| MonoisotopicMass | 365.173942 |
| CLogP | 4.5686 |
| CLogS | -4.835 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.5 |
| Relative PSA | 0.22497 |
| PolarSurfaceArea | 76.18 |
| Druglikeness | -5.3083 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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