Molecule

ID:112838

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O
Molecular Mass
216.3187
Exact Mass
216.15141526
Charge
0
InChI
InChI=1S/C15H20O/c1-3-5-12-15(16,4-2)13-11-14-9-7-6-8-10-14/h6-10,16H,3-5,12H2,1-2H3
InChIKey
MIVGYFVSMBKLHD-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C#Cc1ccccc1)(CC)O
Isomeric Smiles
CCCCC(O)(CC)C#Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.148908
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.311074
LogD (pH = 7.4)
4.3110733
Log P
4.311074
Molar Refractivity
65.8128
Polarizability
26.453821
Polar Surface Area
20.23
Rotatable Bonds
6
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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