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Chemical ID: 7698211
Chemical ID:
7698211
Name [?]:
None
SMILES [?]:
Cc1cccc(c1OCC(=O)NCCC(C)C)C
InChi [?]:
InChI=1/C15H23NO2/c1-11(2)8-9-16-14(17)10-18-15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,1,18,4,3,5,14,13,9,15,2,6,10,7,12,11,8/E:(1,2)(3,4)(6,7)(12,13)/rA:18nCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s15;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.64666 |
Area: | 478.718 |
Solvation: | -3.3213 |
Coulombic: | -30.282 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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