Molecule

ID:20003

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClFNO
Molecular Mass
265.7105232
Exact Mass
265.06696994
Charge
0
InChI
InChI=1S/C14H13ClFNO/c1-8-5-11(6-9(2)14(8)15)18-13-4-3-10(16)7-12(13)17/h3-7H,17H2,1-2H3
InChIKey
FJILJLCPFSYZCI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(Oc2c(cc(cc2)F)N)cc1C)C)Cl
Calculated Properties
JChem
Acid pKa
19.132374
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4180875
LogD (pH = 7.4)
4.4181952
Log P
4.418196
Molar Refractivity
72.1028
Polarizability
26.854305
Polar Surface Area
35.25
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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