Molecule

ID:53012

General Information
Structure
MolImage
Molecular Formula
C₉H₈O
Molecular Mass
132.15922
Exact Mass
132.05751488
Charge
0
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
InChIKey
NITUNGCLDSFVDL-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1ccccc1
Isomeric Smiles
C(C#Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.118257
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6797401
LogD (pH = 7.4)
1.67974
Log P
1.6797401
Molar Refractivity
38.5058
Polarizability
15.375643
Polar Surface Area
20.23
Rotatable Bonds
2
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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