Molecule

ID:28956

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClFN
Molecular Mass
249.7111232
Exact Mass
249.07205532
Charge
0
InChI
InChI=1S/C14H13ClFN/c1-10-13(15)3-2-4-14(10)17-9-11-5-7-12(16)8-6-11/h2-8,17H,9H2,1H3
InChIKey
NMNSWQZZGNCVRN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNc1cccc(c1C)Cl
Isomeric Smiles
c1(c(NCc2ccc(F)cc2)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4269576
LogD (pH = 7.4)
4.4306183
Log P
4.430665
Molar Refractivity
70.9268
Polarizability
26.17893
Polar Surface Area
12.03
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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