Molecule

ID:100309

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClFN₃
Molecular Mass
291.7511032
Exact Mass
291.0938534
Charge
0
InChI
InChI=1S/C15H14FN3.ClH/c16-11-3-4-14-13(8-11)12(5-6-17)15(19-14)10-2-1-7-18-9-10;/h1-4,7-9,19H,5-6,17H2;1H
InChIKey
FQLGSVDZPGKLNY-UHFFFAOYSA-N
Canonic Smiles
NCCc1c([nH]c2c1cc(F)cc2)c1cccnc1.Cl
Isomeric Smiles
[nH]1c(c(c2cc(ccc12)F)CCN)c1cnccc1.Cl
Calculated Properties
JChem
Acid pKa
15.622071
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0651579
LogD (pH = 7.4)
-0.24710049
Log P
1.9786935
Molar Refractivity
73.4461
Polarizability
30.410585
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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