Molecule

ID:27397

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂OS
Molecular Mass
265.1595
Exact Mass
263.98908931
Charge
0
InChI
InChI=1S/C9H10Cl2N2OS/c10-7-2-1-6(8(11)3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKey
DJPHAVXHYJUQKF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CSCc1ccc(cc1Cl)Cl
Isomeric Smiles
C(=O)(NN)CSCc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.172345
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1131563
LogD (pH = 7.4)
2.1154969
Log P
2.115595
Molar Refractivity
65.7016
Polarizability
25.35129
Polar Surface Area
55.12
Rotatable Bonds
4
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