Chemical ID: 4568413

Cc1cc2c(c(c1)OCC(=O)Nc3ccccc3C(=O)OC)c4c(c(=O)o2)CCC4
Chemical ID:
4568413
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OCC(=O)Nc3ccccc3C(=O)OC)c4c(c(=O)o2)CCC4
InChi [?]:
InChI=1/C23H21NO6/c1-13-10-18(21-14-7-5-8-15(14)23(27)30-19(21)11-13)29-12-20(25)24-17-9-4-3-6-16(17)22(26)28-2/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,29,17,30,28,14,7,3,9,2,23,24,18,13,6,4,10,5,19,25,12,11,20,26,21,8,27/rA:30nCCCCCCCOCCONCCCCCCCOOCCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s5;d23;s24;d25;s4s25;s24;s28;s23s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21NO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4372
Area:615.135
Solvation:-4.94117
Coulombic:-67.2236
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.416
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.75
LogP (Chemaxon):4.43

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