Molecule

ID:88388

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O
Molecular Mass
190.28142
Exact Mass
190.1357652
Charge
0
InChI
InChI=1S/C13H18O/c1-10-5-7-11(8-6-10)12(14)9-13(2,3)4/h5-8H,9H2,1-4H3
InChIKey
SNOIQCMDEUVLSY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)CC(C)(C)C
Isomeric Smiles
O=C(c1ccc(cc1)C)CC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.593472
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7764854
LogD (pH = 7.4)
3.7764854
Log P
3.7764854
Molar Refractivity
59.7536
Polarizability
23.224174
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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