Molecule

ID:19449

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN
Molecular Mass
215.6949032
Exact Mass
215.08770539
Charge
0
InChI
InChI=1S/C11H14FN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
InChIKey
KZWKZINPPPZZCE-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C1CCNCC1.Cl
Isomeric Smiles
c1(cc(F)ccc1)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.99983823
LogD (pH = 7.4)
-0.3256003
Log P
2.2210126
Molar Refractivity
51.6954
Polarizability
19.902761
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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