Molecule

ID:110400

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂O₂
Molecular Mass
270.36608
Exact Mass
270.16197994
Charge
0
InChI
InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKey
XMNIXWIUMCBBBL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C
Isomeric Smiles
CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1519685
LogD (pH = 7.4)
5.1519685
Log P
5.1519685
Molar Refractivity
81.433
Polarizability
32.381596
Polar Surface Area
18.46
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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