Molecule

ID:1573

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄NS+
Molecular Mass
120.23636
Exact Mass
120.08469545
Charge
1
InChI
InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKey
VFUGTBZQGUVGEX-UHFFFAOYSA-O
Canonic Smiles
SCC[N+](C)(C)C
Isomeric Smiles
C[N+](C)(C)CCS
Calculated Properties
JChem
Acid pKa
9.704726
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-3.5369763
LogD (pH = 7.4)
-2.7459264
Log P
-3.5668073
Molar Refractivity
48.3766
Polarizability
14.466145
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-3.15
LOG S
-3.48
Solubility (Water)
5.11e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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