Molecule

ID:22050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClFN₂
Molecular Mass
230.7095432
Exact Mass
230.09860442
Charge
0
InChI
InChI=1S/C11H15FN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
InChIKey
SJUMOTCNMGDKAU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N1CCCCC1.Cl
Isomeric Smiles
Cl.c1c(cc(c(c1)N1CCCCC1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1984258
LogD (pH = 7.4)
2.2448072
Log P
2.245432
Molar Refractivity
57.5454
Polarizability
20.74169
Polar Surface Area
29.26
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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