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Chemical ID: 7699461
Chemical ID:
7699461
Name [?]:
None
SMILES [?]:
COc1ccccc1OC(=O)c2cc(c(cc2OC)OC)OC
InChi [?]:
InChI=1/C17H18O6/c1-19-12-7-5-6-8-13(12)23-17(18)11-9-15(21-3)16(22-4)10-14(11)20-2/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,23,21,5,6,4,7,13,16,12,3,8,17,14,15,10,11,2,18,22,20,9/rA:23nCOCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O6 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.1811 |
Area: | 508.538 |
Solvation: | -7.53236 |
Coulombic: | -47.3542 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.65 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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