Molecule

ID:82859

General Information
Structure
MolImage
Molecular Formula
C₉H₈O
Molecular Mass
132.15922
Exact Mass
132.05751488
Charge
0
InChI
InChI=1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey
AIQRJSXKXVZCJO-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccccc1
Isomeric Smiles
O(c1ccccc1)CC#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0436575
LogD (pH = 7.4)
2.0436575
Log P
2.0436575
Molar Refractivity
40.1014
Polarizability
15.444525
Polar Surface Area
9.23
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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