(2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
PubChem CID: 163102890
Connections displayed (default: 10).
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| Topological Polar Surface Area | 70.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18ClNO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NJSSDVNYKRNTDP-BEFAXECRSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.735 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.852 |
| Compound Name | (2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 359.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 359.092 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 359.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.238615800000001 |
| Inchi | InChI=1S/C19H18ClNO4/c1-19(20,9-22)15-7-11-14(25-15)8-13(23)16-17(11)21(2)12-6-4-3-5-10(12)18(16)24/h3-6,8,15,22-23H,7,9H2,1-2H3/t15-,19+/m1/s1 |
| Smiles | C[C@](CO)([C@H]1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)Cl |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients