Molecule

ID:55747

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNS
Molecular Mass
175.679
Exact Mass
175.02224801
Charge
0
InChI
InChI=1S/C7H9NS.ClH/c8-7(3-4-7)6-2-1-5-9-6;/h1-2,5H,3-4,8H2;1H
InChIKey
DJVDHVREGLEAKF-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)c1cccs1.Cl
Isomeric Smiles
C1C(C1)(c1sccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5123695
LogD (pH = 7.4)
-0.2236952
Log P
1.4012289
Molar Refractivity
38.5221
Polarizability
15.295663
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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