Chemical ID: 4273749

c1ccc(cc1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C5(O2)C(=O)c6ccccc6C5=O
Chemical ID:
4273749
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C5(O2)C(=O)c6ccccc6C5=O
InChi [?]:
InChI=1/C26H23NO5/c28-22-17-13-7-8-14-18(17)23(29)26(22)20-19(21(32-26)15-9-3-1-4-10-15)24(30)27(25(20)31)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-21H,2,5-6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,27,28,3,5,16,20,26,29,4,15,25,30,8,9,7,23,31,13,10,21,12,24,32,14,11,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(22,23)(28,29)/rA:32cCCCCCCCCCCONCOCCCCCCCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s8s12;d13;s12;s15;s16;s17;s18;s15s19;s9;s7s21;s21;d23;s23;s25;d26;s27;d28;d25s29;s21s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23NO5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:3
ZAP Information [?]
Total:11.2396
Area:615.793
Solvation:-4.15517
Coulombic:-50.7279
Bond Count [?]
All:37
Single:27
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:429.465
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.74
LogP (Chemaxon):2.65

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