Molecule

ID:15714

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClFNO₂
Molecular Mass
287.7575632
Exact Mass
287.10883475
Charge
0
InChI
InChI=1S/C14H18FNO2.ClH/c1-10-2-3-11(8-13(10)15)9-16-6-4-12(5-7-16)14(17)18;/h2-3,8,12H,4-7,9H2,1H3,(H,17,18);1H
InChIKey
OXPZCBKJNYERCK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)Cc1ccc(c(c1)F)C.Cl
Isomeric Smiles
C1C(CCN(C1)Cc1ccc(c(c1)F)C)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.8096611
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.08777223
LogD (pH = 7.4)
-0.105244145
Log P
-0.08351001
Molar Refractivity
68.2402
Polarizability
25.96499
Polar Surface Area
40.54
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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