Molecule

ID:97043

General Information
Structure
Molecular Formula
C₈H₁₀ClFN₂
Molecular Mass
188.6298032
Exact Mass
188.05165423
Charge
0
InChI
InChI=1S/C8H9FN2.ClH/c1-5-2-3-6(8(10)11)4-7(5)9;/h2-4H,1H3,(H3,10,11);1H
InChIKey
VXAQJXKADWRKGS-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(c(c1)F)C.Cl
Isomeric Smiles
Fc1c(ccc(c1)C(=N)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.86541915
LogD (pH = 7.4)
-0.8498603
Log P
1.5498376
Molar Refractivity
52.9881
Polarizability
15.450851
Polar Surface Area
49.87
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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