Chemical ID: 6352426

CCCCNC(=O)C1CC=CCC1C(=O)O
Chemical ID:
6352426
Name [?]:
6-(butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CCCCNC(=O)C1CC=CCC1C(=O)O
InChi [?]:
InChI=1/C12H19NO3/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(15)16/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,9,12,4,8,13,6,14,5,7,15,16/E:(15,16)/rA:16cCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;s8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.69148
Area:408.925
Solvation:-2.53164
Coulombic:-47.3918
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.284
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.3
LogP (Chemaxon):1.37

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