Molecule

ID:116553

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FN₆
Molecular Mass
262.2861032
Exact Mass
262.13422273
Charge
0
InChI
InChI=1S/C12H15FN6/c13-10-1-3-11(4-2-10)19-12(15-16-17-19)9-18-7-5-14-6-8-18/h1-4,14H,5-9H2
InChIKey
VNFOSTQLCOVQCH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1nnnc1CN1CCNCC1
Isomeric Smiles
c1(n(nnn1)c1ccc(cc1)F)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.483905
LogD (pH = 7.4)
-1.1714538
Log P
0.63200694
Molar Refractivity
71.8344
Polarizability
26.860636
Polar Surface Area
58.87
Rotatable Bonds
3
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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