Molecule
ID:43665
General Information
Molecular Formula
C₁₄H₉FN₂OS
Molecular Mass
272.2974632
Exact Mass
272.04196214
Charge
0
InChI
InChI=1S/C14H9FN2OS/c15-10-6-2-4-8-12(10)17-13(18)9-5-1-3-7-11(9)16-14(17)19/h1-8H,(H,16,19)
InChIKey
JRHDFWPLWWDYPU-UHFFFAOYSA-N
Canonic Smiles
S=c1[nH]c2ccccc2c(=O)n1c1ccccc1F
Isomeric Smiles
n1(c(=S)[nH]c2c(c1=O)cccc2)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
8.121925
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6601694
LogD (pH = 7.4)
3.5898006
Log P
3.6611536
Molar Refractivity
76.6577
Polarizability
28.272993
Polar Surface Area
32.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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