Molecule

ID:31414

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClFNO
Molecular Mass
279.7371032
Exact Mass
279.08262001
Charge
0
InChI
InChI=1S/C15H15ClFNO/c1-10-7-13(15(19)8-16)11(2)18(10)9-12-5-3-4-6-14(12)17/h3-7H,8-9H2,1-2H3
InChIKey
ZPQMZYHCDHCEIG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)Cc1ccccc1F)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)CCl)C)Cc1c(F)cccc1
Calculated Properties
JChem
Acid pKa
15.355117
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6380951
LogD (pH = 7.4)
3.638095
Log P
3.6380951
Molar Refractivity
75.9979
Polarizability
28.15787
Polar Surface Area
22.0
Rotatable Bonds
4
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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