Molecule

ID:51702

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂
Molecular Mass
112.1050032
Exact Mass
112.04367639
Charge
0
InChI
InChI=1S/C5H5FN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKey
WCCFLOQQACDOAX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc(c1)N
Isomeric Smiles
c1(cc(ccn1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16920756
LogD (pH = 7.4)
0.62620384
Log P
0.6638069
Molar Refractivity
29.1314
Polarizability
10.281026
Polar Surface Area
38.91
Rotatable Bonds
0
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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