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Chemical ID: 6352426
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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