Molecule

ID:64923

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFN
Molecular Mass
187.6417432
Exact Mass
187.05640526
Charge
0
InChI
InChI=1S/C9H10FN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1,4-5,11H,2-3,6H2;1H
InChIKey
AIXXGLHAINAAQU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1CCCN2.Cl
Isomeric Smiles
c1cc(c2c(c1)NCCC2)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.04782
LogD (pH = 7.4)
2.0728543
Log P
2.073183
Molar Refractivity
44.3788
Polarizability
15.84214
Polar Surface Area
12.03
Rotatable Bonds
0
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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