Molecule

ID:108697

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey
NFKAWBGFIMBUMB-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Cc1ccccc1
Isomeric Smiles
CCCC(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.746671
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.085724
LogD (pH = 7.4)
3.085724
Log P
3.085724
Molar Refractivity
50.1446
Polarizability
19.631239
Polar Surface Area
17.07
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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