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Chemical ID: 6658845
Chemical ID:
6658845
Name [?]:
3-cyclohexylaminopropanoic acid
SMILES [?]:
C1CCC(CC1)NCCC(=O)O
InChi [?]:
InChI=1/C9H17NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,8,4,10,7,11,12/E:(2,3)(4,5)(11,12)/rA:12nCCCCCCNCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12456 |
Area: | 353.495 |
Solvation: | -1.71282 |
Coulombic: | -35.0811 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | -1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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