Molecule

ID:16905

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FN
Molecular Mass
187.2129032
Exact Mass
187.07972755
Charge
0
InChI
InChI=1S/C12H10FN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2
InChIKey
DOUHEBIOTFMLAJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cccc(c1)F
Isomeric Smiles
c1(c2ccc(cc2)N)cc(ccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9236732
LogD (pH = 7.4)
2.9341123
Log P
2.9342473
Molar Refractivity
56.111
Polarizability
22.093727
Polar Surface Area
26.02
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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