Molecule

ID:41638

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄Cl₂N₂S
Molecular Mass
349.27746
Exact Mass
348.02547482
Charge
0
InChI
InChI=1S/C17H14Cl2N2S/c1-21-17(22-15-10-6-5-9-14(15)19)13(11-18)16(20-21)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
FHGWSKBENMLOTK-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(Sc2ccccc2Cl)n(nc1c1ccccc1)C
Isomeric Smiles
c1(c(c(nn1C)c1ccccc1)CCl)Sc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.903474
LogD (pH = 7.4)
5.903508
Log P
5.9035087
Molar Refractivity
106.3347
Polarizability
38.015064
Polar Surface Area
17.82
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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