Molecule

ID:119389

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₂
Molecular Mass
228.28634
Exact Mass
228.11502975
Charge
0
InChI
InChI=1S/C15H16O2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17-15/h2-8,12-13H,9-10H2,1H3
InChIKey
TYWXTPZJOBOWNJ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(C2C1CC=CC2)(C)c1ccccc1
Isomeric Smiles
C1(OC(=O)C2C1CC=CC2)(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.185817
LogD (pH = 7.4)
3.185817
Log P
3.185817
Molar Refractivity
66.7916
Polarizability
25.965828
Polar Surface Area
26.3
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
References
Bioactivity
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