Molecule

ID:118865

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃FN₂O
Molecular Mass
220.2428232
Exact Mass
220.10119127
Charge
0
InChI
InChI=1S/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
GGRZCCWFABLKCX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(no2)C1CCNCC1
Isomeric Smiles
n1c(c2c(o1)ccc(c2)F)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4757301
LogD (pH = 7.4)
-0.65965056
Log P
1.7343191
Molar Refractivity
59.0672
Polarizability
23.407766
Polar Surface Area
38.06
Rotatable Bonds
1
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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