Molecule

ID:115559

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅FN₄S₂
Molecular Mass
310.4134032
Exact Mass
310.07221672
Charge
0
InChI
InChI=1S/C13H15FN4S2/c14-11-3-1-10(2-4-11)9-19-13-17-16-12(20-13)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKey
FNJIRDJNIYKYNJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CSc1nnc(s1)N1CCNCC1
Isomeric Smiles
c1(sc(nn1)SCc1ccc(F)cc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.20387007
LogD (pH = 7.4)
1.8382145
Log P
3.0805216
Molar Refractivity
83.1569
Polarizability
30.75527
Polar Surface Area
41.05
Rotatable Bonds
4
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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