Molecule

ID:99519

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂
Molecular Mass
176.1902632
Exact Mass
176.07497652
Charge
0
InChI
InChI=1S/C10H9FN2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKey
IOZNKRVVQIJHSD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc(c(c2)C)N
Isomeric Smiles
n1c(c(cc2ccc(cc12)F)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9590302
LogD (pH = 7.4)
2.5361965
Log P
2.5525553
Molar Refractivity
50.2508
Polarizability
19.487257
Polar Surface Area
38.91
Rotatable Bonds
0
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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