Molecule

ID:28873

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂NO₂
Molecular Mass
312.1911
Exact Mass
311.04798409
Charge
0
InChI
InChI=1S/C15H15Cl2NO2/c1-19-13-5-3-12(4-6-13)18-8-9-20-15-7-2-11(16)10-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKey
HJVBWRWWPHANPL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCNc1ccc(cc1)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9661255
LogD (pH = 7.4)
4.137795
Log P
4.1404915
Molar Refractivity
82.8768
Polarizability
31.705788
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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