Molecule

ID:112624

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₂
Molecular Mass
224.33916
Exact Mass
224.17763001
Charge
0
InChI
InChI=1S/C14H24O2/c1-13(2)10-7-8-14(13,3)11(9-10)5-4-6-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKey
JFUSVTFHXUHNIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC1CC2C(C1(C)CC2)(C)C
Isomeric Smiles
CC1(C)C2CCC1(C)C(CCCC(=O)O)C2
Calculated Properties
JChem
Acid pKa
5.037533
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9300082
LogD (pH = 7.4)
1.1850065
Log P
3.5207522
Molar Refractivity
63.8158
Polarizability
25.565649
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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