General Information of the Compound
| Compound ID |
CP0395509
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| Compound Name |
CHEBI:48202
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| Structure |
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| Formula |
C16H14O6
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| Molecular Weight |
302.282
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| Canonical SMILES |
C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O
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| InChI |
InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
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| InChIKey |
ZCJHPTKRISJQTN-JGVFFNPUSA-N
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| CAS |
52934-83-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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