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Chemical ID: 6680035
Chemical ID:
6680035
Name [?]:
None
SMILES [?]:
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5CCOC5O2
InChi [?]:
InChI=1/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,19,20,4,9,18,14,3,5,10,8,6,7,11,22,15,12,2,21,23,13/rA:23cCOCCCCCCCCCOOCOCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s7s11;s10;d14;s14;s9s16;s6;s18;s19;s20;s18s21;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.13011 |
Area: | 463.264 |
Solvation: | -6.45149 |
Coulombic: | -46.127 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 314.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.8 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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