Molecule

ID:136107

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₂NO
Molecular Mass
159.10357014
Exact Mass
159.03430996
Charge
0
InChI
InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)/i7+1,10+1
InChIKey
AVRQBXVUUXHRMY-ZCIFZXMMSA-N
Canonic Smiles
[15NH2][13C](=O)c1c(F)cccc1F
Isomeric Smiles
c1cc(c(c(c1)F)[13C](=O)[15NH2])F
Calculated Properties
JChem
Acid pKa
11.274421
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1092906
LogD (pH = 7.4)
1.1093417
Log P
1.10929
Molar Refractivity
35.5692
Polarizability
12.709185
Polar Surface Area
43.09
Rotatable Bonds
1
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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