Molecule

ID:79370

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-8-6-7-11(12-2)10-5-3-4-9(8)10/h6-7H,3-5H2,1-2H3
InChIKey
WLLDRYXQMFGAKW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1CCC2)C
Isomeric Smiles
O(c1ccc(c2c1CCC2)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3366814
LogD (pH = 7.4)
3.3366814
Log P
3.3366814
Molar Refractivity
50.4436
Polarizability
19.263247
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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