Chemical ID: 6424968

c1ccc(cc1)C2(Oc3cc4c(cc3O2)OC(O4)(c5ccccc5)c6ccccc6)c7ccccc7
Chemical ID:
6424968
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2(Oc3cc4c(cc3O2)OC(O4)(c5ccccc5)c6ccccc6)c7ccccc7
InChi [?]:
InChI=1/C32H22O4/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)33-27-21-29-30(22-28(27)34-31)36-32(35-29,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChi Info:
AuxInfo=1/0/N:1,34,22,28,2,6,33,35,21,23,27,29,3,5,32,36,20,24,26,30,10,13,4,31,19,25,9,14,11,12,7,17,8,15,18,16/E:(1,2,3,4)(5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20)(21,22)(23,24,25,26)(27,28,29,30)(31,32)(33,34,35,36)/rA:36nCCCCCCCOCCCCCCOOCOCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;s11s17;s17;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;d25s29;s7;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H22O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.5227
Area:691.784
Solvation:-2.77194
Coulombic:-45.4875
Bond Count [?]
All:42
Single:27
Double:15
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:470.515
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:8.29
LogP (Chemaxon):9.62

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