Molecule

ID:38038

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O₃
Molecular Mass
270.7121
Exact Mass
270.07712003
Charge
0
InChI
InChI=1S/C12H14N2O3.ClH/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11;/h3-6H,7,13H2,1-2H3;1H
InChIKey
LFXYNBWPFOMINX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1onc(c1)CN.Cl
Isomeric Smiles
c1(cc(no1)CN)c1cc(c(cc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6672871
LogD (pH = 7.4)
0.02051238
Log P
0.7969155
Molar Refractivity
63.3913
Polarizability
25.66278
Polar Surface Area
70.51
Rotatable Bonds
4
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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