Molecule

ID:42063

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClFN₂O
Molecular Mass
204.6292032
Exact Mass
204.04656885
Charge
0
InChI
InChI=1S/C8H9FN2O.ClH/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
GVELHLWKCQWEDO-UHFFFAOYSA-N
Canonic Smiles
NC(=N)COc1ccc(cc1)F.Cl
Isomeric Smiles
C(=N)(N)COc1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7087498
LogD (pH = 7.4)
-1.3382539
Log P
0.6991454
Molar Refractivity
53.2385
Polarizability
16.251453
Polar Surface Area
59.1
Rotatable Bonds
3
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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