Molecule

ID:85585

General Information
Structure
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Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
InChIKey
GNKZMNRKLCTJAY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)C)C
Calculated Properties
JChem
Acid pKa
16.240688
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0443146
LogD (pH = 7.4)
2.0443146
Log P
2.0443146
Molar Refractivity
41.502
Polarizability
15.839146
Polar Surface Area
17.07
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
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Molecule Details
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References
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Bioactivity
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