Chemical ID: 6384977

CCCNC(=O)C1CC=CCC1C(=O)O
Chemical ID:
6384977
Name [?]:
6-(propylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CCCNC(=O)C1CC=CCC1C(=O)O
InChi [?]:
InChI=1/C11H17NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h3-4,8-9H,2,5-7H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,3,7,12,5,13,4,6,14,15/E:(14,15)/rA:15cCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s7s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.00955
Area:382.421
Solvation:-2.55099
Coulombic:-47.0715
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:211.258
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.73
LogP (Chemaxon):0.97

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Descriptor Annotations

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