Molecule

ID:8832

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂
Molecular Mass
186.1850832
Exact Mass
186.05932645
Charge
0
InChI
InChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H
InChIKey
NPZSWZGYPPDMFS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cccc1n1cccc1
Isomeric Smiles
c1(cccc(c1C#N)n1cccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5163
LogD (pH = 7.4)
2.5163
Log P
2.5163
Molar Refractivity
61.7484
Polarizability
19.794037
Polar Surface Area
28.72
Rotatable Bonds
1
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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