Molecule

ID:19382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN
Molecular Mass
215.6949032
Exact Mass
215.08770539
Charge
0
InChI
InChI=1S/C11H14FN.ClH/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;/h1-2,5-6,11,13H,3-4,7-8H2;1H
InChIKey
OEKBSIDEYKJNPH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1CCCCN1.Cl
Isomeric Smiles
c1(C2NCCCC2)c(F)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4487861
LogD (pH = 7.4)
1.0300643
Log P
2.5844297
Molar Refractivity
51.3346
Polarizability
19.976704
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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