Chemical ID: 5657340

c1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
Chemical ID:
5657340
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C23H18O4/c24-21(13-10-16-6-2-1-3-7-16)26-15-18-14-22(25)27-20-12-11-17-8-4-5-9-19(17)23(18)20/h1-9,11-12,14H,10,13,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,22,3,5,24,21,7,26,27,8,14,12,4,25,13,20,18,9,15,19,10,16,11,17/E:(2,3)(6,7)/rA:27nCCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2824
Area:579.629
Solvation:-3.2083
Coulombic:-39.8958
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):4.95

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