Molecule

ID:10530

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄FN₃O
Molecular Mass
247.2681632
Exact Mass
247.1120903
Charge
0
InChI
InChI=1S/C13H14FN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2
InChIKey
OCVSOAJAJMMNGN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nnc(o1)C1CCNCC1
Isomeric Smiles
o1c(nnc1C1CCNCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8549093
LogD (pH = 7.4)
-0.97438335
Log P
1.3488003
Molar Refractivity
77.1739
Polarizability
25.311272
Polar Surface Area
50.95
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
No Data Available
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Molecule Details
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References
Bioactivity
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