Molecule

ID:116441

General Information
Structure
MolImage
Molecular Formula
C₈H₈FN₅
Molecular Mass
193.1810232
Exact Mass
193.0763735
Charge
0
InChI
InChI=1S/C8H8FN5/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14/h1-4H,5,10H2
InChIKey
IYVSXDNCBCWDOZ-UHFFFAOYSA-N
Canonic Smiles
NCc1nnnn1c1ccc(cc1)F
Isomeric Smiles
n1(c(nnn1)CN)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7940446
LogD (pH = 7.4)
-0.1257304
Log P
0.352307
Molar Refractivity
51.0097
Polarizability
18.71883
Polar Surface Area
69.62
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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