Molecule

ID:82290

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂S
Molecular Mass
244.30888
Exact Mass
244.05580062
Charge
0
InChI
InChI=1S/C14H12O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-10H,1H3
InChIKey
UGTXYTPJTDWEBQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1cccs1
Isomeric Smiles
s1c(ccc1)/C=C/C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.84855
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6455355
LogD (pH = 7.4)
3.6455355
Log P
3.6455355
Molar Refractivity
70.2301
Polarizability
26.496666
Polar Surface Area
26.3
Rotatable Bonds
4
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