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Chemical ID: 6384977
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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