Chemical ID: 4560169

Cc1c2c(cc3c1oc(=O)c4c3CCCC4)c(co2)c5ccc6c(c5)OCO6
Chemical ID:
4560169
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1oc(=O)c4c3CCCC4)c(co2)c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C23H18O5/c1-12-21-17(9-16-14-4-2-3-5-15(14)23(24)28-22(12)16)18(10-25-21)13-6-7-19-20(8-13)27-11-26-19/h6-10H,2-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,21,22,25,5,18,27,2,20,12,11,6,4,17,23,24,3,7,9,10,19,28,26,8/rA:28nCCCCCCCOCOCCCCCCCCOCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s11s15;s4;d17;s3s18;s17;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.37404
Area:551.614
Solvation:-4.41631
Coulombic:-42.7835
Bond Count [?]
All:33
Single:24
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:374.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):5.75

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