Molecule

ID:108494

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
VAJVDSVGBWFCLW-UHFFFAOYSA-N
Canonic Smiles
OCCCc1ccccc1
Isomeric Smiles
OCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.963386
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9391259
LogD (pH = 7.4)
1.9391259
Log P
1.9391259
Molar Refractivity
42.2299
Polarizability
16.412066
Polar Surface Area
20.23
Rotatable Bonds
3
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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