Molecule

ID:37577

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFN₃
Molecular Mass
227.6658432
Exact Mass
227.06255327
Charge
0
InChI
InChI=1S/C10H10FN3.ClH/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14;/h1-4,6-7H,5,12H2;1H
InChIKey
SVPFXYQOPOGYAS-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn(c1)c1ccc(cc1)F.Cl
Isomeric Smiles
c1(cn(nc1)c1ccc(cc1)F)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.589559
LogD (pH = 7.4)
-0.31118482
Log P
1.3275347
Molar Refractivity
53.1095
Polarizability
20.416033
Polar Surface Area
43.84
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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