Molecule

ID:13666

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
InChIKey
HHTRAISBAAXRKZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(N)ccc1F
Isomeric Smiles
c1(ccc(c(c1)C#N)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1428115
LogD (pH = 7.4)
1.1431141
Log P
1.143118
Molar Refractivity
36.6964
Polarizability
12.987149
Polar Surface Area
49.81
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
References
Bioactivity
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