Molecule

ID:62365

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₄O
Molecular Mass
274.2935032
Exact Mass
274.12298934
Charge
0
InChI
InChI=1S/C14H15FN4O/c15-10-4-5-13(17-8-10)19-14-3-1-2-11(18-14)12-9-16-6-7-20-12/h1-5,8,12,16H,6-7,9H2,(H,17,18,19)
InChIKey
LUTJYUPAFAETBA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1)Nc1cccc(n1)C1CNCCO1
Isomeric Smiles
n1c(Nc2ncc(F)cc2)cccc1C1OCCNC1
Calculated Properties
JChem
Acid pKa
13.655297
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.36050785
LogD (pH = 7.4)
1.3588194
Log P
1.9427203
Molar Refractivity
72.6194
Polarizability
27.796022
Polar Surface Area
59.07
Rotatable Bonds
3
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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