Chemical ID: 5248867

c1ccc(cc1)C2CCC(CC2)CC(=O)O
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

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Descriptor Annotations

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