Molecule

ID:55212

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFN
Molecular Mass
201.6683232
Exact Mass
201.07205532
Charge
0
InChI
InChI=1S/C10H12FN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKey
PBZQWAHJDBRUFM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1CNCC1.Cl
Isomeric Smiles
C1NCCC1c1ccccc1F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3832904
LogD (pH = 7.4)
-1.133274
Log P
1.8543978
Molar Refractivity
47.0174
Polarizability
18.06184
Polar Surface Area
12.03
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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