Molecule

ID:30910

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClFN₂O
Molecular Mass
228.6506032
Exact Mass
228.04656885
Charge
0
InChI
InChI=1S/C10H9FN2O.ClH/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10;/h1-5H,6,12H2;1H
InChIKey
BDESHLNQPGTMJU-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(c1)c1ccc(cc1)F.Cl
Isomeric Smiles
n1c(cc(o1)CN)c1ccc(cc1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.60193926
LogD (pH = 7.4)
1.0697001
Log P
1.5593385
Molar Refractivity
50.8315
Polarizability
20.273733
Polar Surface Area
52.05
Rotatable Bonds
2
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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