(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate
Formula:C26H21NO7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate is a drug-like molecule.
| MolName | (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate |
| MolecularFormula | C26H21NO7 |
| Smiles | Oc1cc(OC(CCNC(OCc2ccccc2)=O)=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C26H21NO7/c28-20-13-19(14-23-25(20)21(29)15-22(34-23)18-9-5-2-6-10-18)33-24(30)11-12-27-26(31)32-16-17-7-3-1-4-8-17/h1-10,13-15,28H,11-12,16H2,(H,27,31) |
| InChIK | WBIZZCXCYFHMFK-UHFFFAOYSA-N |
| TotalMolweight | 459.453 |
| Molweight | 459.453 |
| MonoisotopicMass | 459.131804 |
| CLogP | 4.1732 |
| CLogS | -5.423 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 346.33 |
| Relative PSA | 0.27049 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | -12.495 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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