Molecule
ID:95573
General Information
Molecular Formula
C₁₀H₇F₂N
Molecular Mass
179.1660864
Exact Mass
179.05465567
Charge
0
InChI
InChI=1S/C10H7F2N/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H
InChIKey
DJHAIKNLYUBPDP-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1n1cccc1)F
Isomeric Smiles
n1(c2c(cccc2F)F)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8408
LogD (pH = 7.4)
2.8408
Log P
2.8408
Molar Refractivity
56.2432
Polarizability
17.643505
Polar Surface Area
4.93
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
No Data Available
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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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