Molecule

ID:61970

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂NO
Molecular Mass
260.1596
Exact Mass
259.05306947
Charge
0
InChI
InChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKey
DZYWUHVYUYHVFU-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN1Cc1ccc(cc1Cl)Cl
Isomeric Smiles
N1(Cc2c(cc(cc2)Cl)Cl)C(CO)CCC1
Calculated Properties
JChem
Acid pKa
15.112011
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1316757
LogD (pH = 7.4)
2.6586552
Log P
2.8981946
Molar Refractivity
67.7138
Polarizability
26.543425
Polar Surface Area
23.47
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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