Molecule

ID:89422

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey
OTXINXDGSUFPNU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)C(C)(C)C
Isomeric Smiles
O=Cc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2308044
LogD (pH = 7.4)
3.2308044
Log P
3.2308044
Molar Refractivity
51.3079
Polarizability
19.529865
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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