Molecule

ID:50012

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClFN₂O
Molecular Mass
232.6823632
Exact Mass
232.07786898
Charge
0
InChI
InChI=1S/C10H13FN2O.ClH/c1-10(2,12)9(14)13-8-5-3-7(11)4-6-8;/h3-6H,12H2,1-2H3,(H,13,14);1H
InChIKey
MSAXBGBBGUUBQX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)Nc1ccc(cc1)F.Cl
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)C(N)(C)C.Cl
Calculated Properties
JChem
Acid pKa
13.462061
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2749834
LogD (pH = 7.4)
0.31965852
Log P
1.4310584
Molar Refractivity
53.7043
Polarizability
20.087765
Polar Surface Area
55.12
Rotatable Bonds
2
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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