Molecule

ID:7228

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClFN₂
Molecular Mass
176.6191032
Exact Mass
176.05165423
Charge
0
InChI
InChI=1S/C7H9FN2.ClH/c1-5-2-3-6(8)4-7(5)10-9;/h2-4,10H,9H2,1H3;1H
InChIKey
JJGFAXYGLYUHIN-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(F)ccc1C.Cl
Isomeric Smiles
N(N)c1c(ccc(c1)F)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8509681
LogD (pH = 7.4)
2.0183985
Log P
2.0210118
Molar Refractivity
41.0223
Polarizability
14.318857
Polar Surface Area
38.05
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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