Molecule
ID:96372
General Information
Molecular Formula
C₈H₉F₂N
Molecular Mass
157.1605664
Exact Mass
157.07030573
Charge
0
InChI
InChI=1S/C8H9F2N/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3
InChIKey
UXHVBVCJFYGKEN-UHFFFAOYSA-N
Canonic Smiles
CN(c1c(F)cccc1F)C
Isomeric Smiles
N(c1c(cccc1F)F)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3666935
LogD (pH = 7.4)
2.3666935
Log P
2.3666935
Molar Refractivity
40.9194
Polarizability
14.541198
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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