Molecule

ID:34603

General Information
Structure
Molecular Formula
C₆H₁₅ClN₂O₃S
Molecular Mass
230.7129
Exact Mass
230.04919103
Charge
0
InChI
InChI=1S/C6H14N2O3S.ClH/c1-12(9,10)8-2-3-11-6(4-7)5-8;/h6H,2-5,7H2,1H3;1H
InChIKey
BUNDFUFGYVOJEV-UHFFFAOYSA-N
Canonic Smiles
NCC1OCCN(C1)S(=O)(=O)C.Cl
Isomeric Smiles
C1COC(CN1S(=O)(=O)C)CN.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.9596133
LogD (pH = 7.4)
-3.677991
Log P
-2.0436146
Molar Refractivity
44.5548
Polarizability
18.678053
Polar Surface Area
72.63
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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