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Chemical ID: 6357744
Chemical ID:
6357744
Name [?]:
2-(2-ethylhexylcarbamoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
CCCCC(CC)CNC(=O)C1CCCCC1C(=O)O
InChi [?]:
InChI=1/C16H29NO3/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,14,15,4,13,16,8,5,12,17,10,18,9,11,19,20/E:(19,20)/rA:20cCCCCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H29NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.57798 |
Area: | 504.601 |
Solvation: | -3.03704 |
Coulombic: | -47.6243 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 283.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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