Molecule
ID:124407
General Information
Molecular Formula
C₁₃H₉ClOS
Molecular Mass
248.72796
Exact Mass
248.00626359
Charge
0
InChI
InChI=1S/C13H9ClOS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKey
FIARHGLPZDXHLJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Sc1ccc(cc1)Cl
Isomeric Smiles
S(c1ccc(C=O)cc1)c1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4785423
LogD (pH = 7.4)
4.4785423
Log P
4.4785423
Molar Refractivity
70.1309
Polarizability
26.71002
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...