[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate
Formula:C17H14N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate |
| MolecularFormula | C17H14N4O4 |
| Smiles | N/C(/c1cnccc1)=N/OC(CCN(C(c1c2cccc1)=O)C2=O)=O |
| InChI | InChI=1S/C17H14N4O4/c18-15(11-4-3-8-19-10-11)20-25-14(22)7-9-21-16(23)12-5-1-2-6-13(12)17(21)24/h1-6,8,10H,7,9H2,(H2,18,20) |
| InChIK | NWMITCHTISKBAA-UHFFFAOYSA-N |
| TotalMolweight | 338.322 |
| Molweight | 338.322 |
| MonoisotopicMass | 338.101506 |
| CLogP | 1.5045 |
| CLogS | -2.782 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 250.84 |
| Relative PSA | 0.36047 |
| PolarSurfaceArea | 114.95 |
| Druglikeness | -0.275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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