Molecule

ID:34250

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FN₂
Molecular Mass
240.2755232
Exact Mass
240.10627665
Charge
0
InChI
InChI=1S/C15H13FN2/c16-13-3-5-14(6-4-13)18-10-11-1-2-12-7-8-17-15(12)9-11/h1-9,17-18H,10H2
InChIKey
FJBNMQVDWLPHMG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
16.346544
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3985038
LogD (pH = 7.4)
3.411789
Log P
3.411961
Molar Refractivity
72.1673
Polarizability
27.775936
Polar Surface Area
27.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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