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Chemical ID: 7654861
Chemical ID:
7654861
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NC(C1CCC2(CC1)OCCO2)C(=O)O
InChi [?]:
InChI=1/C15H25NO6/c1-14(2,3)22-13(19)16-11(12(17)18)10-4-6-15(7-5-10)20-8-9-21-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,15,12,14,17,18,10,9,20,6,2,13,8,21,22,7,16,19,5/E:(1,2,3)(4,5)(6,7)(8,9)(17,18)(20,21)/rA:22cCCCCOCONCCCCCCCOCCOCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s13s18;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO6 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.94669 |
Area: | 497.796 |
Solvation: | -4.4982 |
Coulombic: | -77.0112 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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