[(E)-[amino(phenyl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate
Formula:C21H21N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate |
| MolecularFormula | C21H21N3O4 |
| Smiles | N/C(/c1ccccc1)=N/OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O |
| InChI | InChI=1S/C21H21N3O4/c22-19(15-9-3-1-4-10-15)23-28-18(25)13-5-2-8-14-24-20(26)16-11-6-7-12-17(16)21(24)27/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H2,22,23) |
| InChIK | YZDKJMHIYJTRKE-UHFFFAOYSA-N |
| TotalMolweight | 379.415 |
| Molweight | 379.415 |
| MonoisotopicMass | 379.153207 |
| CLogP | 3.8686 |
| CLogS | -4.387 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.36 |
| Relative PSA | 0.27083 |
| PolarSurfaceArea | 102.06 |
| Druglikeness | -11.487 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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