Chemical ID: 6400090

CCCCCCCCCCCCNC(=O)C1C2CC(C1C(=O)O)C=C2
Chemical ID:
6400090
Name [?]:
6-(dodecylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
CCCCCCCCCCCCNC(=O)C1C2CC(C1C(=O)O)C=C2
InChi [?]:
InChI=1/C21H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-22-20(23)18-16-12-13-17(15-16)19(18)21(24)25/h12-13,16-19H,2-11,14-15H2,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,25,24,12,18,17,19,16,20,14,21,13,15,22,23/E:(24,25)/rA:25cCCCCCCCCCCCCNCOCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;s17;s18;s16s19;s20;d21;s21;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H35NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:12.7809
Area:628.016
Solvation:-2.91953
Coulombic:-49.547
Bond Count [?]
All:26
Single:23
Double:3
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:349.508
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):4.3

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