Molecule

ID:44280

General Information
Structure
Molecular Formula
C₁₄H₉FN₂OS
Molecular Mass
272.2974632
Exact Mass
272.04196214
Charge
0
InChI
InChI=1S/C14H9FN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey
IQKUFJBAPHQXBC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
8.14296
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6602159
LogD (pH = 7.4)
3.5928948
Log P
3.6611536
Molar Refractivity
76.6577
Polarizability
28.271465
Polar Surface Area
32.34
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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