Molecule

ID:24145

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂FN₂
Molecular Mass
267.1704832
Exact Mass
266.07528213
Charge
0
InChI
InChI=1S/C11H15FN2.2ClH/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14;;/h4-5,8H,1-3,6-7,13H2;2*1H
InChIKey
LQFLNFLAXSYMNE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N1CCCCC1.Cl.Cl
Isomeric Smiles
N1(c2c(cc(cc2)N)F)CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1454043
LogD (pH = 7.4)
2.244016
Log P
2.245432
Molar Refractivity
57.5454
Polarizability
20.74124
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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