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Chemical ID: 4289571
Chemical ID:
4289571
Name [?]:
1-[6-(2,5-dimethylphenoxy)hexyl]pyrrolidine
SMILES [?]:
Cc1ccc(c(c1)OCCCCCCN2CCCC2)C
InChi [?]:
InChI=1/C18H29NO/c1-16-9-10-17(2)18(15-16)20-14-8-4-3-5-11-19-12-6-7-13-19/h9-10,15H,3-8,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,11,13,17,18,10,3,4,14,16,19,9,7,2,5,6,15,8/E:(6,7)(12,13)/rA:20nCCCCCCCOCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9103 |
Area: | 528.297 |
Solvation: | -2.29709 |
Coulombic: | -14.3503 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.429 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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