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Chemical ID: 4919055
Chemical ID:
4919055
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)OC3(c4cc5c(cc4OC3C2)OCO5)O
InChi [?]:
InChI=1/C17H14O6/c1-19-10-3-2-9-4-16-17(18,23-12(9)5-10)11-6-14-15(21-8-20-14)7-13(11)22-16/h2-3,5-7,16,18H,4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,19,8,12,15,21,6,3,11,7,16,13,14,18,10,23,2,22,20,17,9/rA:23cCOCCCCCCOCCCCCCCOCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;s6s18;s14;s20;s13s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.27017 |
Area: | 471.943 |
Solvation: | -5.52841 |
Coulombic: | -57.7659 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 314.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.12 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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