Molecule

ID:117236

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂
Molecular Mass
176.1902632
Exact Mass
176.07497652
Charge
0
InChI
InChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
InChIKey
RHZQTGHNSDPKJV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)c2c(n1)c(F)ccc2
Isomeric Smiles
c12c(c(cc(n1)C)N)cccc2F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7820716
LogD (pH = 7.4)
1.5460181
Log P
1.5760466
Molar Refractivity
49.4876
Polarizability
19.49206
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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