Molecule

ID:54150

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClFN₂
Molecular Mass
174.6032232
Exact Mass
174.03600417
Charge
0
InChI
InChI=1S/C7H7FN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey
JQDATBKJKUWNGA-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)F.Cl
Isomeric Smiles
c1(ccc(cc1)F)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3789363
LogD (pH = 7.4)
-1.3706815
Log P
1.0364162
Molar Refractivity
47.9469
Polarizability
13.690834
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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