Molecule

ID:42947

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-18-9-10-19-16/h1-8,16-17H,9-11H2
InChIKey
YXNOFHMTKGJXKH-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)c1ccc(cc1)C1OCCO1
Isomeric Smiles
C1(c2ccc(c3ccc(cc3)CO)cc2)OCCO1
Calculated Properties
JChem
Acid pKa
14.995198
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8362758
LogD (pH = 7.4)
2.8362758
Log P
2.8362758
Molar Refractivity
73.3893
Polarizability
29.919668
Polar Surface Area
38.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation