Molecule

ID:37346

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKey
FRQLEOHJRISXFC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(ccc(cc1)C(=O)O)OCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.362027
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.319567
LogD (pH = 7.4)
0.5693109
Log P
3.486292
Molar Refractivity
69.145
Polarizability
26.524254
Polar Surface Area
46.53
Rotatable Bonds
5
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