Molecule

ID:16640

General Information
Structure
Molecular Formula
C₁₂H₁₄ClFN₂O
Molecular Mass
256.7037632
Exact Mass
256.07786898
Charge
0
InChI
InChI=1S/C12H14ClFN2O/c13-9-12(17)16-7-5-15(6-8-16)11-4-2-1-3-10(11)14/h1-4H,5-9H2
InChIKey
CIEYKEFONUZKEK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)c1ccccc1F
Isomeric Smiles
c1(N2CCN(CC2)C(=O)CCl)c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.835349
LogD (pH = 7.4)
1.8353493
Log P
1.8353493
Molar Refractivity
65.7775
Polarizability
24.557772
Polar Surface Area
23.55
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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