Molecule

ID:100308

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClFN₃
Molecular Mass
291.7511032
Exact Mass
291.0938534
Charge
0
InChI
InChI=1S/C15H14FN3.ClH/c16-10-4-5-13-12(9-10)11(6-7-17)15(19-13)14-3-1-2-8-18-14;/h1-5,8-9,19H,6-7,17H2;1H
InChIKey
QTWKBVSOAGFKLN-UHFFFAOYSA-N
Canonic Smiles
NCCc1c([nH]c2c1cc(F)cc2)c1ccccn1.Cl
Isomeric Smiles
[nH]1c(c(c2cc(ccc12)F)CCN)c1ncccc1.Cl
Calculated Properties
JChem
Acid pKa
14.869989
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6488322
LogD (pH = 7.4)
0.15817925
Log P
2.3645437
Molar Refractivity
73.0741
Polarizability
30.415104
Polar Surface Area
54.7
Rotatable Bonds
3
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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