Molecule

ID:55053

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClFN₂
Molecular Mass
230.7095432
Exact Mass
230.09860442
Charge
0
InChI
InChI=1S/C11H15FN2.ClH/c12-10-3-1-2-4-11(10)14-6-5-9(7-13)8-14;/h1-4,9H,5-8,13H2;1H
InChIKey
NCQVEAIQFOJBTB-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)c1ccccc1F.Cl
Isomeric Smiles
N1(c2c(F)cccc2)CC(CC1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5190173
LogD (pH = 7.4)
-0.84250337
Log P
1.4927583
Molar Refractivity
56.203
Polarizability
21.123781
Polar Surface Area
29.26
Rotatable Bonds
2
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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