Molecule

ID:91761

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNS
Molecular Mass
211.7111
Exact Mass
211.02224801
Charge
0
InChI
InChI=1S/C10H9NS.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h1-7H,11H2;1H
InChIKey
YZNMSSXLTNKKRH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cccs1.Cl
Isomeric Smiles
s1c(ccc1)c1ccc(cc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5609565
LogD (pH = 7.4)
2.568595
Log P
2.5686932
Molar Refractivity
52.7845
Polarizability
21.114634
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
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Molecule Details
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References
Bioactivity
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