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Chemical ID: 6719334
Chemical ID:
6719334
Name [?]:
[1-(3,4-dimethoxyphenyl)cyclohexyl]methylammonium
SMILES [?]:
COc1ccc(cc1OC)C2(CCCCC2)C[NH3+]
InChi [?]:
InChI=1/C15H23NO2/c1-17-13-7-6-12(10-14(13)18-2)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11,16H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,14,13,15,5,4,12,16,7,17,6,3,8,11,18,2,9/E:(4,5)(8,9)/rA:18nCOCCCCCCOCCCCCCCCN+/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s11s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24NO2+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.398 |
Area: | 430.361 |
Solvation: | -43.157 |
Coulombic: | 28.1473 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 250.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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