Molecule

ID:70445

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClFN
Molecular Mass
173.6151632
Exact Mass
173.04075519
Charge
0
InChI
InChI=1S/C8H8FN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H
InChIKey
NVFMCKBKBMZDOK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)CNC2.Cl
Isomeric Smiles
C1NCc2cc(ccc12)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6538248
LogD (pH = 7.4)
-0.25576633
Log P
1.4255239
Molar Refractivity
38.077
Polarizability
14.450299
Polar Surface Area
12.03
Rotatable Bonds
0
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
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References
Bioactivity
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