Molecule

ID:36198

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClFNO
Molecular Mass
275.7053432
Exact Mass
275.05131988
Charge
0
InChI
InChI=1S/C15H11ClFNO/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9H,18H2/b9-8+
InChIKey
PURZBRMGOAFYPK-CMDGGOBGSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
C(=C\C(=O)c1ccc(N)cc1)/c1c(Cl)cccc1F
Calculated Properties
JChem
Acid pKa
15.986752
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8073459
LogD (pH = 7.4)
3.808136
Log P
3.808146
Molar Refractivity
76.5986
Polarizability
28.005865
Polar Surface Area
43.09
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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