Molecule

ID:87503

General Information
Structure
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Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
InChIKey
SFBTTWXNCQVIEC-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccccc1OC
Isomeric Smiles
O(c1ccccc1C=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5522766
LogD (pH = 7.4)
2.5522766
Log P
2.5522766
Molar Refractivity
42.2075
Polarizability
16.395346
Polar Surface Area
9.23
Rotatable Bonds
2
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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