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Chemical ID: 5198108
Chemical ID:
5198108
Name [?]:
4-(2-fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CC(CCC1C(=O)O)NC(=O)NCCF
InChi [?]:
InChI=1/C10H17FN2O3/c11-5-6-12-10(16)13-8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,14,6,3,7,11,16,13,10,8,9,12/E:(1,2)(3,4)(14,15)/rA:16nCCCCCCCOONCONCCF/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17FN2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94471 |
Area: | 413.821 |
Solvation: | -4.40082 |
Coulombic: | -63.645 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 232.252 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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