Molecule

ID:79635

General Information
Structure
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c17-16(12-5-2-1-3-6-12)13-7-8-14-15(11-13)19-10-4-9-18-14/h1-3,5-8,11H,4,9-10H2
InChIKey
ATBWIKKKUXNBHF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)OCCCO2)c1ccccc1
Isomeric Smiles
O1c2c(ccc(c2)C(=O)c2ccccc2)OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.005691
LogD (pH = 7.4)
3.005691
Log P
3.005691
Molar Refractivity
72.4563
Polarizability
28.124313
Polar Surface Area
35.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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