Molecule

ID:79699

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c1-18-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16/h2-8H,1H3
InChIKey
WSTDJPDRIAZQON-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1c1ccccc1C2=O
Isomeric Smiles
O=C1c2c(c(ccc2)C(=O)OC)c2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1100554
LogD (pH = 7.4)
3.1100554
Log P
3.1100554
Molar Refractivity
67.737
Polarizability
27.043941
Polar Surface Area
43.37
Rotatable Bonds
2
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