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Chemical ID: 6533279
Chemical ID:
6533279
Name [?]:
2-(1-adamantyl)-2-cyclohexylamino-acetic acid
SMILES [?]:
C1CCC(CC1)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H29NO2/c20-17(21)16(19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16,19H,1-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,18,20,17,13,21,16,14,19,4,8,9,12,7,10,11/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(20,21)/rA:21cCCCCCCNCCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;d9;s9;s8;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.48431 |
Area: | 451.845 |
Solvation: | -1.8118 |
Coulombic: | -37.8015 |
Bond Count [?]
All: | 24 |
Single: | 23 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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