Molecule

ID:55150

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂O
Molecular Mass
244.6930632
Exact Mass
244.07786898
Charge
0
InChI
InChI=1S/C11H13FN2O.ClH/c12-10-4-2-1-3-9(10)8-14-6-5-13-7-11(14)15;/h1-4,13H,5-8H2;1H
InChIKey
YKWRKTYPUSZHMD-UHFFFAOYSA-N
Canonic Smiles
O=C1CNCCN1Cc1ccccc1F.Cl
Isomeric Smiles
C1CN(C(=O)CN1)Cc1ccccc1F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9335191
LogD (pH = 7.4)
0.46046424
Log P
0.62116444
Molar Refractivity
55.2536
Polarizability
21.212225
Polar Surface Area
32.34
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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