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Chemical ID: 6724941
Chemical ID:
6724941
Name [?]:
1-(3-hydroxy-1-adamantyl)propylammonium
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)(C2)O)[NH3+]
InChi [?]:
InChI=1/C13H23NO/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-11,15H,2-8,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,5,9,12,10,13,6,8,3,4,11,15,14/E:(4,5)(6,7)(9,10)/rA:15cCCCCCCCCCCCCCON+/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s11;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24NO+ |
All Atoms: | 39 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -28.9179 |
Area: | 358.733 |
Solvation: | -37.8862 |
Coulombic: | 23.7192 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 210.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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