Chemical ID: 6500473

C1CCC(C(C1)NCCCCCCC(=O)O)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue