Molecule

ID:76240

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂NS
Molecular Mass
250.18792
Exact Mass
249.01457578
Charge
0
InChI
InChI=1S/C10H12ClNS.ClH/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H
InChIKey
URFYZGHXGVXXJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1CNCCS1.Cl
Isomeric Smiles
S1C(c2ccccc2Cl)CNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4804307
LogD (pH = 7.4)
1.029272
Log P
2.530741
Molar Refractivity
59.1133
Polarizability
23.417345
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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