Molecule
ID:63552
General Information
Molecular Formula
C₁₁H₁₂O
Molecular Mass
160.21238
Exact Mass
160.088815
Charge
0
InChI
InChI=1S/C11H12O/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6H,7-9H2
InChIKey
LXEIQOMFEYLGSU-UHFFFAOYSA-N
Canonic Smiles
O1CCC(=CC1)c1ccccc1
Isomeric Smiles
c1(C2=CCOCC2)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2848
LogD (pH = 7.4)
2.2848
Log P
2.2848
Molar Refractivity
50.4941
Polarizability
19.360687
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
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Molecule Details
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References
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Bioactivity
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