Molecule

ID:86162

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-8-4-5-9-7-11(2,3)12-10(9)6-8/h4-6H,7H2,1-3H3
InChIKey
FIOKUGYMOSTLAE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)OC(C2)(C)C
Isomeric Smiles
O1c2c(ccc(c2)C)CC1(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0660362
LogD (pH = 7.4)
3.0660362
Log P
3.0660362
Molar Refractivity
49.929
Polarizability
19.34191
Polar Surface Area
9.23
Rotatable Bonds
0
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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