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Chemical ID: 7118782
Chemical ID:
7118782
Name [?]:
(2-methoxyphenyl)methyl-(2-methylcyclohexyl)-ammonium
SMILES [?]:
CC1CCCCC1[NH2+]Cc2ccccc2OC
InChi [?]:
InChI=1/C15H23NO/c1-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17-2/h4,6,8,10,12,14,16H,3,5,7,9,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,4,12,5,13,3,11,6,14,9,2,10,7,15,8,16/rA:17cCCCCCCCN+CCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24NO+ |
All Atoms: | 41 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -18.6695 |
Area: | 428.386 |
Solvation: | -29.3792 |
Coulombic: | 21.4937 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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