Molecule

ID:92592

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClN₂S
Molecular Mass
302.8217
Exact Mass
302.06444717
Charge
0
InChI
InChI=1S/C16H14N2S.ClH/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13;/h1-10H,11,17H2;1H
InChIKey
REDARXMRPRJWQP-UHFFFAOYSA-N
Canonic Smiles
NCc1sc(nc1c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
n1c(c2ccccc2)sc(c1c1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0908166
LogD (pH = 7.4)
2.5089316
Log P
3.9480925
Molar Refractivity
89.3897
Polarizability
32.811546
Polar Surface Area
38.91
Rotatable Bonds
3
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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