Molecule

ID:71362

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClFN₂
Molecular Mass
214.6670832
Exact Mass
214.06730429
Charge
0
InChI
InChI=1S/C10H11FN2.ClH/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;/h1-2,5-6,13H,3-4,12H2;1H
InChIKey
ODVDIBHWTMTHOS-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1ccc(c2)F.Cl
Isomeric Smiles
NCCc1c[nH]c2cc(ccc12)F.Cl
Calculated Properties
JChem
Acid pKa
16.752924
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.3776542
LogD (pH = 7.4)
-0.6301146
Log P
1.6291394
Molar Refractivity
50.5893
Polarizability
20.31664
Polar Surface Area
41.81
Rotatable Bonds
2
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
References
Bioactivity
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