Molecule

ID:40251

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₄
Molecular Mass
258.2941032
Exact Mass
258.12807472
Charge
0
InChI
InChI=1S/C14H15FN4/c1-14(2,3)19-13(17)11(8-16)12(18-19)9-4-6-10(15)7-5-9/h4-7H,17H2,1-3H3
InChIKey
VSMJGUHIVXQFGB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(nn(c1N)C(C)(C)C)c1ccc(cc1)F
Isomeric Smiles
c1(c(n(nc1c1ccc(cc1)F)C(C)(C)C)N)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7467809
LogD (pH = 7.4)
2.7472978
Log P
2.7473044
Molar Refractivity
83.4229
Polarizability
27.987144
Polar Surface Area
67.63
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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