Molecule

ID:76236

General Information
Structure
Molecular Formula
C₁₀H₁₄ClNS
Molecular Mass
215.74286
Exact Mass
215.05354813
Charge
0
InChI
InChI=1S/C10H13NS.ClH/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h1-5,10-11H,6-8H2;1H
InChIKey
SQCVFXVQKSKVAW-UHFFFAOYSA-N
Canonic Smiles
N1CCSC(C1)c1ccccc1.Cl
Isomeric Smiles
S1C(c2ccccc2)CNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1371784
LogD (pH = 7.4)
0.29088366
Log P
1.9266963
Molar Refractivity
54.3085
Polarizability
21.58842
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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