Molecule

ID:55770

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁ClN₂S
Molecular Mass
154.66154
Exact Mass
154.03314704
Charge
0
InChI
InChI=1S/C4H10N2S.ClH/c1-7-3-2-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
InChIKey
CUEZLAJPRBTTHY-UHFFFAOYSA-N
Canonic Smiles
CSCCC(=N)N.Cl
Isomeric Smiles
C(=N)(CCSC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3177679
LogD (pH = 7.4)
-2.3171585
Log P
0.09768315
Molar Refractivity
44.1412
Polarizability
13.020523
Polar Surface Area
49.87
Rotatable Bonds
3
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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