Molecule

ID:9248

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃NO
Molecular Mass
213.1559496
Exact Mass
213.04014848
Charge
0
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-5H,(H,14,15)
InChIKey
UDRWADJLLWWJOE-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc2c1cccc2C(F)(F)F
Isomeric Smiles
n1ccc(O)c2cccc(C(F)(F)F)c12
Calculated Properties
JChem
Acid pKa
10.427824
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.705102
LogD (pH = 7.4)
2.7047827
Log P
2.7051837
Molar Refractivity
47.9339
Polarizability
18.596903
Polar Surface Area
33.12
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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