Molecule

ID:9687

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClFN₂
Molecular Mass
216.6829632
Exact Mass
216.08295436
Charge
0
InChI
InChI=1S/C10H13FN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey
JVQOFQHGEFLRRQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1N1CCNCC1.Cl
Isomeric Smiles
Fc1c(N2CCNCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2847502
LogD (pH = 7.4)
0.26999617
Log P
1.6880633
Molar Refractivity
51.4584
Polarizability
19.284348
Polar Surface Area
15.27
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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