Molecule

ID:116677

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FN₇
Molecular Mass
299.3062632
Exact Mass
299.1294717
Charge
0
InChI
InChI=1S/C14H14FN7/c15-10-1-3-11(4-2-10)22-14-12(19-20-22)13(17-9-18-14)21-7-5-16-6-8-21/h1-4,9,16H,5-8H2
InChIKey
ASOGYLOWVPKLOR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1nnc2c1ncnc2N1CCNCC1
Isomeric Smiles
n1(nnc2c1ncnc2N1CCNCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.0739568
LogD (pH = 7.4)
0.5373642
Log P
1.8361434
Molar Refractivity
81.0632
Polarizability
30.564964
Polar Surface Area
71.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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