Molecule

ID:47372

General Information
Structure
Molecular Formula
C₁₂H₁₆ClF₂NO
Molecular Mass
263.7113464
Exact Mass
263.08884826
Charge
0
InChI
InChI=1S/C12H15F2NO.ClH/c13-10-5-9(6-11(14)7-10)8-16-12-1-3-15-4-2-12;/h5-7,12,15H,1-4,8H2;1H
InChIKey
XVUZBEQDEXYXCO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(COC2CCNCC2)cc(c1)F.Cl
Isomeric Smiles
N1CCC(OCc2cc(cc(c2)F)F)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4417492
LogD (pH = 7.4)
-0.75332624
Log P
1.7781847
Molar Refractivity
58.2143
Polarizability
22.228436
Polar Surface Area
21.26
Rotatable Bonds
3
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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