Molecule

ID:83483

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄BrNS
Molecular Mass
200.14036
Exact Mass
199.00303245
Charge
0
InChI
InChI=1S/C5H13NS.BrH/c1-6(2)4-5-7-3;/h4-5H2,1-3H3;1H
InChIKey
FHUUJUJJDLLIRF-UHFFFAOYSA-N
Canonic Smiles
CSCCN(C)C.Br
Isomeric Smiles
N(CCSC)(C)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.2046921
LogD (pH = 7.4)
-0.59897363
Log P
0.9825386
Molar Refractivity
37.114
Polarizability
14.539458
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
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References
Bioactivity
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