Molecule

ID:69907

General Information
Structure
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Molecular Formula
C₉H₈O
Molecular Mass
132.15922
Exact Mass
132.05751488
Charge
0
InChI
InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
InChIKey
KBIAVTUACPKPFJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C#C
Isomeric Smiles
COc1ccc(cc1)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9664098
LogD (pH = 7.4)
1.9664098
Log P
1.9664098
Molar Refractivity
37.6935
Polarizability
15.433258
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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