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Chemical ID: 7654862
Chemical ID:
7654862
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NC1(CCC2(CC1)OCCO2)C(=O)O
InChi [?]:
InChI=1/C14H23NO6/c1-12(2,3)21-11(18)15-13(10(16)17)4-6-14(7-5-13)19-8-9-20-14/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,14,11,13,16,17,19,6,2,9,12,8,20,21,7,15,18,5/E:(1,2,3)(4,5)(6,7)(8,9)(16,17)(19,20)/rA:21nCCCCOCONCCCCCCOCCOCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s12s17;s9;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO6 |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.46323 |
Area: | 464.462 |
Solvation: | -4.14833 |
Coulombic: | -76.819 |
Bond Count [?]
All: | 22 |
Single: | 20 |
Double: | 2 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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