Molecule

ID:28897

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂NO
Molecular Mass
296.1917
Exact Mass
295.05306947
Charge
0
InChI
InChI=1S/C15H15Cl2NO/c1-11-3-2-4-13(9-11)19-8-7-18-12-5-6-14(16)15(17)10-12/h2-6,9-10,18H,7-8H2,1H3
InChIKey
BYZKHCKLUVOIGK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OCCNc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(NCCOc2cc(ccc2)C)ccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8076005
LogD (pH = 7.4)
4.811534
Log P
4.8115845
Molar Refractivity
81.4548
Polarizability
30.938253
Polar Surface Area
21.26
Rotatable Bonds
5
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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