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Chemical ID: 5248867
Chemical ID:
5248867
Name [?]:
2-(4-phenylcyclohexyl)acetic acid
SMILES [?]:
c1ccc(cc1)C2CCC(CC2)CC(=O)O
InChi [?]:
InChI=1/C14H18O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,11,8,12,13,10,4,7,14,15,16/E:(2,3)(4,5)(6,7)(8,9)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28872 |
Area: | 404.977 |
Solvation: | -1.8357 |
Coulombic: | -28.4515 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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