Molecule

ID:117693

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂S
Molecular Mass
286.77924
Exact Mass
286.03314704
Charge
0
InChI
InChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)15-18-14(9-19-15)12-3-1-2-4-13(12)17/h1-9H,17H2
InChIKey
SLRQMURNOKOKSZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1scc(n1)c1ccccc1N
Isomeric Smiles
n1c(csc1c1ccc(cc1)Cl)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.463663
LogD (pH = 7.4)
4.4649863
Log P
4.4650035
Molar Refractivity
90.6374
Polarizability
32.35031
Polar Surface Area
38.91
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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