Molecule

ID:28326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClFN₃
Molecular Mass
239.6765432
Exact Mass
239.06255327
Charge
0
InChI
InChI=1S/C11H11ClFN3/c1-7-4-11(14)15-16(7)6-8-2-3-9(13)5-10(8)12/h2-5H,6H2,1H3,(H2,14,15)
InChIKey
VSFQVZGEJCOWQP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)Cn1nc(cc1C)N
Isomeric Smiles
n1(nc(cc1C)N)Cc1c(cc(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8208218
LogD (pH = 7.4)
2.8372056
Log P
2.8374186
Molar Refractivity
74.7588
Polarizability
22.971432
Polar Surface Area
43.84
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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