Molecule

ID:31332

General Information
Structure
Molecular Formula
C₁₁H₁₆FN₃
Molecular Mass
209.2632432
Exact Mass
209.13282575
Charge
0
InChI
InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey
MEVYGYSJGBINCG-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1N)F
Isomeric Smiles
N1(c2c(cc(cc2)F)N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9109247
LogD (pH = 7.4)
0.7859634
Log P
1.2421852
Molar Refractivity
61.4535
Polarizability
22.270433
Polar Surface Area
32.5
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
No Data Available
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Molecule Details
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References
Bioactivity
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