Molecule

ID:90225

General Information
Structure
MolImage
Molecular Formula
C₉H₈O
Molecular Mass
132.15922
Exact Mass
132.05751488
Charge
0
InChI
InChI=1S/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
InChIKey
ZASXCTCNZKFDTP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C#C
Isomeric Smiles
O(c1cccc(c1)C#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
15.434277
Polar Surface Area
9.23
Rotatable Bonds
1
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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