Molecule

ID:70419

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₂N
Molecular Mass
191.1767864
Exact Mass
191.05465567
Charge
0
InChI
InChI=1S/C11H7F2N/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h1-7H
InChIKey
SSABEFIRGJISFH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)c1ccccn1
Isomeric Smiles
c1(ccccn1)c1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0697117
LogD (pH = 7.4)
3.073998
Log P
3.074053
Molar Refractivity
49.0981
Polarizability
19.68124
Polar Surface Area
12.89
Rotatable Bonds
1
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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