Molecule

ID:124457

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3
InChIKey
KXQWVDJDEROCEI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)n1nc(cc1N)C
Isomeric Smiles
n1(c(cc(n1)C)N)c1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.581727
LogD (pH = 7.4)
1.5933512
Log P
1.5935014
Molar Refractivity
53.1813
Polarizability
19.955584
Polar Surface Area
43.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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