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Chemical ID: 7096930
Chemical ID:
7096930
Name [?]:
2-dicyclohexylaminoacetic acid
SMILES [?]:
C1CCC(CC1)N(CC(=O)O)C2CCCCC2
InChi [?]:
InChI=1/C14H25NO2/c16-14(17)11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,3,5,13,17,8,4,12,9,7,10,11/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(16,17)/rA:17nCCCCCCNCCOOCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;d9;s9;s7;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO2 |
All Atoms: | 42 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26798 |
Area: | 412.928 |
Solvation: | -2.05521 |
Coulombic: | -32.8929 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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