Molecule

ID:15733

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂S
Molecular Mass
251.77342
Exact Mass
251.0746775
Charge
0
InChI
InChI=1S/C10H17NO2S.ClH/c12-10(13)8-2-1-4-11(6-8)9-3-5-14-7-9;/h8-9H,1-7H2,(H,12,13);1H
InChIKey
LHUFVNIPRIIPQZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C1CSCC1.Cl
Isomeric Smiles
C1(N2CC(CCC2)C(=O)O)CSCC1.Cl
Calculated Properties
JChem
Acid pKa
3.7039342
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.679965
LogD (pH = 7.4)
-1.6754578
Log P
-1.6748755
Molar Refractivity
57.9577
Polarizability
22.802822
Polar Surface Area
40.54
Rotatable Bonds
2
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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