2-[(E)-4a,9a-dihydrofluoren-9-ylideneamino]oxyacetic acid
Formula:C15H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-4a,9a-dihydrofluoren-9-ylideneamino]oxyacetic acid is a drug-like molecule.
| MolName | 2-[(E)-4a,9a-dihydrofluoren-9-ylideneamino]oxyacetic acid |
| MolecularFormula | C15H13NO3 |
| Smiles | OC(CO/N=C(\C1C=CC=CC11)/c2c1cccc2)=O |
| InChI | InChI=1S/C15H13NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,10,12H,9H2,(H,17,18) |
| InChIK | JTVULGDHMBLBKY-UHFFFAOYSA-N |
| TotalMolweight | 255.272 |
| Molweight | 255.272 |
| MonoisotopicMass | 255.089544 |
| CLogP | 2.6666 |
| CLogS | -3.471 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 195.09 |
| Relative PSA | 0.24425 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 1.9122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - 2-[(E)-4a,9a-dihydrofluoren-9-ylideneamino]oxyacetic acid | 2 - 2-[(E)-4a,9a-dihydrofluoren-9-ylideneamino]oxyacetic acid
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