Molecule

ID:64611

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂S
Molecular Mass
262.7563
Exact Mass
262.05427641
Charge
0
InChI
InChI=1S/C10H14N2O2S.ClH/c1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7;/h6-7,11H,2-5H2,1H3;1H
InChIKey
RWZYILAQTIQGAU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)C1CCCN1.Cl
Isomeric Smiles
c1(nc(sc1)C1NCCC1)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3127837
LogD (pH = 7.4)
0.38518962
Log P
1.4274429
Molar Refractivity
57.5296
Polarizability
22.597916
Polar Surface Area
51.22
Rotatable Bonds
4
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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