Molecule

ID:96073

General Information
Structure
Molecular Formula
C₁₁H₈ClFN₂OS
Molecular Mass
270.7104232
Exact Mass
270.00298979
Charge
0
InChI
InChI=1S/C11H8ClFN2OS/c1-5-8(11(14)17)10(15-16-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,17)
InChIKey
BLDCXVWPXBITNH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1c1noc(c1C(=S)N)C)Cl
Isomeric Smiles
n1c(c2c(cccc2F)Cl)c(c(o1)C)C(=S)N
Calculated Properties
JChem
Acid pKa
9.853083
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0577016
LogD (pH = 7.4)
3.0590434
Log P
3.0576847
Molar Refractivity
69.5044
Polarizability
26.80104
Polar Surface Area
52.05
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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