Molecule

ID:28355

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃
Molecular Mass
205.2314832
Exact Mass
205.10152562
Charge
0
InChI
InChI=1S/C11H12FN3/c1-8(13)9-6-14-15(7-9)11-5-3-2-4-10(11)12/h2-8H,13H2,1H3
InChIKey
HCVXCUZUZSTSEE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1n1ncc(c1)C(N)C
Isomeric Smiles
n1(ncc(c1)C(N)C)c1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2171764
LogD (pH = 7.4)
-0.109929845
Log P
1.7441097
Molar Refractivity
57.5283
Polarizability
22.264297
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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