Molecule

ID:18374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃FN₂O
Molecular Mass
220.2428232
Exact Mass
220.10119127
Charge
0
InChI
InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
MRMGJMGHPJZSAE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)onc2C1CCNCC1
Isomeric Smiles
n1c(c2c(o1)cc(cc2)F)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4753549
LogD (pH = 7.4)
-0.65515214
Log P
1.7343191
Molar Refractivity
59.0672
Polarizability
23.407127
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
No Data Available
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Molecule Details
References
Bioactivity
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