Molecule

ID:82903

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClN₃S₂
Molecular Mass
343.8537
Exact Mass
343.00046702
Charge
0
InChI
InChI=1S/C16H10ClN3S2/c17-16-13(9-18)15(22-20-16)12-6-4-11(5-7-12)10-21-14-3-1-2-8-19-14/h1-8H,10H2
InChIKey
LOFGYEOBNOLJEU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nsc1c1ccc(cc1)CSc1ccccn1
Isomeric Smiles
s1c(c(c(n1)Cl)C#N)c1ccc(cc1)CSc1ncccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.889579
LogD (pH = 7.4)
4.8927655
Log P
4.892806
Molar Refractivity
94.0843
Polarizability
36.46151
Polar Surface Area
49.57
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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