Molecule

ID:55613

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-5-6(2-3-7)9-4-8-5;;/h4H,2-3,7H2,1H3;2*1H
InChIKey
LZJDEPWZKBPSRS-UHFFFAOYSA-N
Canonic Smiles
NCCc1scnc1C.Cl.Cl
Isomeric Smiles
n1c(c(sc1)CCN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6826446
LogD (pH = 7.4)
-1.7752414
Log P
0.31027782
Molar Refractivity
38.9808
Polarizability
14.99254
Polar Surface Area
38.91
Rotatable Bonds
2
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