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Chemical ID: 7727859
Chemical ID:
7727859
Name [?]:
None
SMILES [?]:
Cc1c2ccc(cc2oc(=O)c1c3ccccc3)OCC=C(C)C
InChi [?]:
InChI=1/C21H20O3/c1-14(2)11-12-23-17-9-10-18-15(3)20(16-7-5-4-6-8-16)21(22)24-19(18)13-17/h4-11,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,16,15,17,14,18,5,4,21,20,7,22,2,13,6,3,8,12,10,11,19,9/E:(1,2)(5,6)(7,8)/rA:24nCCCCCCCCOCOCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s15;d16;d13s17;s6;s19;s20;d21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20O3 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0403 |
Area: | 536.284 |
Solvation: | -3.36682 |
Coulombic: | -29.4037 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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