Chemical ID: 6347061

CCCCCCCCNC(=O)C1CCCCC1C(=O)O
Chemical ID:
6347061
Name [?]:
2-(octylcarbamoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
CCCCCCCCNC(=O)C1CCCCC1C(=O)O
InChi [?]:
InChI=1/C16H29NO3/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16(19)20/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,14,15,7,13,16,8,12,17,10,18,9,11,19,20/E:(19,20)/rA:20cCCCCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;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:2
ZAP Information [?]
Total:9.93279
Area:520.357
Solvation:-3.07614
Coulombic:-47.5529
Bond Count [?]
All:20
Single:18
Double:2
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:283.406
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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