Molecule
ID:119023
General Information
Molecular Formula
C₁₁H₁₂O
Molecular Mass
160.21238
Exact Mass
160.088815
Charge
0
InChI
InChI=1S/C11H12O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3/b10-8-
InChIKey
BOCRJYUZWIOMOJ-NTMALXAHSA-N
Canonic Smiles
CC/C(=C/c1ccccc1)/C=O
Isomeric Smiles
C(=C(\C=O)/CC)\c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.817589
LogD (pH = 7.4)
2.817589
Log P
2.817589
Molar Refractivity
51.0926
Polarizability
19.474915
Polar Surface Area
17.07
Rotatable Bonds
3
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
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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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