Molecule

ID:74002

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNS
Molecular Mass
151.6576
Exact Mass
151.02224801
Charge
0
InChI
InChI=1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKey
HUUSTUALCPTCGJ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=S)Cl)CC
Isomeric Smiles
N(CC)(C(=S)Cl)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.027276
LogD (pH = 7.4)
2.027276
Log P
2.027276
Molar Refractivity
42.4604
Polarizability
16.359928
Polar Surface Area
3.24
Rotatable Bonds
2
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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