Molecule

ID:97898

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFN
Molecular Mass
187.6417432
Exact Mass
187.05640526
Charge
0
InChI
InChI=1S/C9H10FN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKey
FKJYBMLORZDBDU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1(N)CC1.Cl
Isomeric Smiles
NC1(c2ccccc2F)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3022114
LogD (pH = 7.4)
-0.07665249
Log P
1.6310494
Molar Refractivity
41.8486
Polarizability
16.293526
Polar Surface Area
26.02
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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