Molecule

ID:124382

General Information
Structure
Molecular Formula
C₁₃H₁₃Cl₂NO
Molecular Mass
270.15442
Exact Mass
269.0374194
Charge
0
InChI
InChI=1S/C13H12ClNO.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-8H,9,15H2;1H
InChIKey
HSSQARGEQFUOMG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCc1ccccc1Cl.Cl
Isomeric Smiles
c1(c(Cl)cccc1)COc1ccc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2367811
LogD (pH = 7.4)
3.314085
Log P
3.3151665
Molar Refractivity
66.639
Polarizability
25.44037
Polar Surface Area
35.25
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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