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Chemical ID: 4567717
Chemical ID:
4567717
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)occ3c4ccccc4)C
InChi [?]:
InChI=1/C20H16O3/c1-3-14-12(2)15-9-16-17(13-7-5-4-6-8-13)11-22-18(16)10-19(15)23-20(14)21/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,20,19,21,18,22,6,9,15,4,17,3,5,7,16,8,10,12,13,14,11/E:(5,6)(7,8)/rA:23nCCCCCCCCCCOCOOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4993 |
Area: | 494.039 |
Solvation: | -2.85168 |
Coulombic: | -28.0056 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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