Chemical ID: 3968157

COc1c2ccc(=O)oc2c3ccoc3c1OC
Chemical ID:
3968157
Name [?]:
None
SMILES [?]:
COc1c2ccc(=O)oc2c3ccoc3c1OC
InChi [?]:
InChI=1/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,5,6,12,13,4,11,7,10,3,15,16,8,2,17,14,9/rA:18nCOCCCCCOOCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s7;d4s9;s10;s11;d12;s13;d11s14;d3s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.12974
Area:396.001
Solvation:-4.7703
Coulombic:-40.2132
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.215
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.38
LogP (Chemaxon):2.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue