Chemical ID: 6680035

COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5CCOC5O2
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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