Molecule

ID:89926

General Information
Structure
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
BTRGZBIXPLFVNK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)C
Isomeric Smiles
O(C(=O)Cc1ccc(cc1)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6271174
LogD (pH = 7.4)
2.6271174
Log P
2.6271174
Molar Refractivity
51.9245
Polarizability
20.220089
Polar Surface Area
26.3
Rotatable Bonds
4
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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