Molecule

ID:62889

General Information
Structure
Molecular Formula
C₁₀H₁₅ClN₂O₂S
Molecular Mass
262.7563
Exact Mass
262.05427641
Charge
0
InChI
InChI=1S/C10H14N2O2S.ClH/c1-12-15(13,14)8-4-2-7-3-5-10(11)9(7)6-8;/h2,4,6,10,12H,3,5,11H2,1H3;1H
InChIKey
OECCVDKGTLPSEB-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc2c(c1)C(N)CC2.Cl
Isomeric Smiles
S(=O)(=O)(c1cc2c(cc1)CCC2N)NC.Cl
Calculated Properties
JChem
Acid pKa
10.366003
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.463513
LogD (pH = 7.4)
-1.2499474
Log P
0.27511856
Molar Refractivity
59.1668
Polarizability
23.690042
Polar Surface Area
72.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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