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Chemical ID: 5654757
Chemical ID:
5654757
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl adamantane-1-carboxylate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H24O4/c1-13-2-3-18-17(8-20(23)26-19(18)4-13)12-25-21(24)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,20,23,25,7,22,18,26,13,2,21,19,24,6,5,11,8,15,17,9,16,14,10/E:(5,6,7)(9,10,11)(14,15,16)/rA:26nCCCCCCCCOOCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7833 |
Area: | 539.013 |
Solvation: | -2.69204 |
Coulombic: | -39.3679 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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