Molecule

ID:28991

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂NO
Molecular Mass
296.1917
Exact Mass
295.05306947
Charge
0
InChI
InChI=1S/C15H15Cl2NO/c1-19-13-5-2-11(3-6-13)8-9-18-15-7-4-12(16)10-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKey
QVUKSLQVRMVRDQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1NCCc1ccc(cc1)OC)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.455238
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.506096
LogD (pH = 7.4)
4.5095325
Log P
4.5095763
Molar Refractivity
81.6922
Polarizability
30.911186
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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