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Chemical ID: 6424308
Chemical ID:
6424308
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C=C5C2C(=O)OC5)OCO4
InChi [?]:
InChI=1/C22H20O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h4-8,19-20H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,20,18,4,6,15,26,28,19,5,21,14,17,16,3,7,13,22,8,23,24,2,11,9,25,27,29/E:(1,2)(6,7)(17,18)(24,25)/rA:29cCOCCCCCCOCOCCCCCCCCCCCCOOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;s22;d23;s23;s21s25;s17;s27;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20O7 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.46693 |
Area: | 546.268 |
Solvation: | -9.18976 |
Coulombic: | -55.0693 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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