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Chemical ID: 6500473
Chemical ID:
6500473
Name [?]:
7-(2-hydroxycyclohexyl)aminoheptanoic acid
SMILES [?]:
C1CCC(C(C1)NCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C13H25NO3/c15-12-8-5-4-7-11(12)14-10-6-2-1-3-9-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,2,9,6,3,13,8,5,4,14,7,17,15,16/E:(16,17)/rA:17cCCCCCCNCCCCCCCOOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;s11;s12;s13;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.29406 |
Area: | 473.493 |
Solvation: | -3.54326 |
Coulombic: | -51.4837 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.343 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.02 |
LogP (Chemaxon): | -1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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