Molecule

ID:58545

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₄OS
Molecular Mass
306.3585032
Exact Mass
306.09506034
Charge
0
InChI
InChI=1S/C14H15FN4OS/c15-10-3-5-11(6-4-10)17-12(20)14-19-18-13(21-14)9-2-1-7-16-8-9/h3-6,9,16H,1-2,7-8H2,(H,17,20)
InChIKey
SZNFZUDKMIWSRV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC(=O)c1nnc(s1)C1CCCNC1
Isomeric Smiles
s1c(nnc1C(=O)Nc1ccc(cc1)F)C1CNCCC1
Calculated Properties
JChem
Acid pKa
8.671845
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3096045
LogD (pH = 7.4)
0.12704831
Log P
1.1768968
Molar Refractivity
81.3346
Polarizability
29.546108
Polar Surface Area
66.91
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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