Molecule

ID:111870

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O
Molecular Mass
190.28142
Exact Mass
190.1357652
Charge
0
InChI
InChI=1S/C13H18O/c1-9-7-6-8-11(10(9)2)12(14)13(3,4)5/h6-8H,1-5H3
InChIKey
AAYZRNXUGXYDAA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)c1cccc(c1C)C
Isomeric Smiles
Cc1cccc(C(=O)C(C)(C)C)c1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3572726
LogD (pH = 7.4)
4.3572726
Log P
4.3572726
Molar Refractivity
60.2456
Polarizability
23.144344
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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