Molecule

ID:28958

General Information
Structure
Molecular Formula
C₁₅H₁₅Cl₂NO
Molecular Mass
296.1917
Exact Mass
295.05306947
Charge
0
InChI
InChI=1S/C15H15Cl2NO/c1-11-14(17)3-2-4-15(11)18-9-10-19-13-7-5-12(16)6-8-13/h2-8,18H,9-10H2,1H3
InChIKey
SRKOXJHEEDDIAI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCNc1cccc(c1C)Cl
Isomeric Smiles
c1(c(NCCOc2ccc(Cl)cc2)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8052053
LogD (pH = 7.4)
4.8115034
Log P
4.8115845
Molar Refractivity
81.4548
Polarizability
30.909506
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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