Molecule

ID:30533

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChIKey
DNOLCFDXGUQEQK-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)Cc1cccc(c1)F
Isomeric Smiles
n1(ncc(c1)N)Cc1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4393195
LogD (pH = 7.4)
1.4393545
Log P
1.439355
Molar Refractivity
64.4908
Polarizability
19.297266
Polar Surface Area
43.84
Rotatable Bonds
2
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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