6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoic acid
Formula:C13H17NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.
| MolName | 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoic acid |
| MolecularFormula | C13H17NO4 |
| Smiles | OC(CCCCCNC(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C13H17NO4/c15-12(8-7-11-5-4-10-18-11)14-9-3-1-2-6-13(16)17/h4-5,7-8,10H,1-3,6,9H2,(H,14,15)(H,16,17) |
| InChIK | XXFXSGLCBNBRPM-UHFFFAOYSA-N |
| TotalMolweight | 251.281 |
| Molweight | 251.281 |
| MonoisotopicMass | 251.115759 |
| CLogP | 1.5639 |
| CLogS | -2.528 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 211.56 |
| Relative PSA | 0.30606 |
| PolarSurfaceArea | 79.54 |
| Druglikeness | -10.262 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoic acid | 2 - 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoic acid
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