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Chemical ID: 4563899
Chemical ID:
4563899
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1occ3c4ccc(cc4)OC)c5ccc(cc5c(=O)o2)OC
InChi [?]:
InChI=1/C24H18O5/c1-13-22-19(21(12-28-22)14-4-6-15(26-2)7-5-14)11-18-17-9-8-16(27-3)10-20(17)24(25)29-23(13)18/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,29,12,16,13,15,21,20,23,5,9,2,11,14,22,19,4,6,24,10,7,3,25,26,17,28,8,27/E:(4,5)(6,7)/rA:29nCCCCCCCOCCCCCCCCOCCCCCCCCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s10;s11;d12;s13;d14;d11s15;s14;s17;s4;s19;d20;s21;d22;d19s23;s24;d25;s3s25;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89262 |
Area: | 582.796 |
Solvation: | -5.67727 |
Coulombic: | -41.0568 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 386.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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