(Z)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
Formula:C14H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid |
| MolecularFormula | C14H15NO3 |
| Smiles | OC(/C=C\C(Nc1c(CCCC2)c2ccc1)=O)=O |
| InChI | InChI=1S/C14H15NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,15,16)(H,17,18) |
| InChIK | NWIOLOZYQWUIIL-UHFFFAOYSA-N |
| TotalMolweight | 245.277 |
| Molweight | 245.277 |
| MonoisotopicMass | 245.105194 |
| CLogP | 1.9004 |
| CLogS | -2.837 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 194.61 |
| Relative PSA | 0.26021 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -4.192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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