Molecule

ID:38347

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀FN₃
Molecular Mass
309.3806032
Exact Mass
309.16412588
Charge
0
InChI
InChI=1S/C19H20FN3/c20-17-6-7-18-16(8-9-21-18)19(17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
InChIKey
TYGZEOFXXLXXGG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1N1CCN(CC1)Cc1ccccc1)cc[nH]2
Isomeric Smiles
[nH]1ccc2c(c(ccc12)F)N1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
17.779522
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7951173
LogD (pH = 7.4)
3.4739165
Log P
3.8943462
Molar Refractivity
92.4522
Polarizability
35.942978
Polar Surface Area
22.27
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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