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Chemical ID: 6386553
Chemical ID:
6386553
Name [?]:
6-(1-piperidylcarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
C1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C13H19NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,10-11H,1,4-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,6,10,13,3,5,9,14,7,15,4,8,16,17/E:(4,5)(8,9)(16,17)/rA:17cCCCNCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;d11;s12;s9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.0689 |
Area: | 390.162 |
Solvation: | -2.68515 |
Coulombic: | -42.0174 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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