Molecule

ID:62814

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClFN₃
Molecular Mass
281.7562832
Exact Mass
281.10950346
Charge
0
InChI
InChI=1S/C14H16FN3.ClH/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11;/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18);1H
InChIKey
UXOYRPSPKMTJIB-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1c[nH]nc1C1CCCNC1.Cl
Isomeric Smiles
c1(c(n[nH]c1)C1CNCCC1)c1cc(F)ccc1.Cl
Calculated Properties
JChem
Acid pKa
15.069409
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.7508521
LogD (pH = 7.4)
0.07725604
Log P
2.4582126
Molar Refractivity
69.9671
Polarizability
27.662943
Polar Surface Area
40.71
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
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Molecule Details
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References
Bioactivity
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