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Chemical ID: 6424968
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
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Experimental Annotations
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Descriptor Annotations
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