Molecule

ID:11077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂S
Molecular Mass
262.7563
Exact Mass
262.05427641
Charge
0
InChI
InChI=1S/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,12H2,1-2H3
InChIKey
ATLJZSHHIYIYJV-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(c(c1)N)Cl)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)N)Cl)N(CC)CC
Calculated Properties
JChem
Acid pKa
19.074354
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5153464
LogD (pH = 7.4)
1.5153631
Log P
1.5153633
Molar Refractivity
67.0117
Polarizability
26.033157
Polar Surface Area
63.4
Rotatable Bonds
3
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