Molecule

ID:15344

General Information
Structure
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H
InChIKey
ZYQVCZQOHBWPNV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCC1CCCNC1.Cl
Isomeric Smiles
c1c(ccc(c1)OCC1CCCNC1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1176951
LogD (pH = 7.4)
-0.46010783
Log P
2.1041923
Molar Refractivity
57.6132
Polarizability
22.503422
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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