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Chemical ID: 7108666
Chemical ID:
7108666
Name [?]:
N-[(4-ethoxyphenyl)methyl]cyclooctanamine
SMILES [?]:
CCOc1ccc(cc1)CNC2CCCCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-2-19-17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16/h10-13,16,18H,2-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,18,13,19,6,8,5,9,10,7,12,4,11,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19nCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 46 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69178 |
Area: | 478.302 |
Solvation: | -2.26576 |
Coulombic: | -18.6296 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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