Molecule

ID:78632

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂N₂O₂
Molecular Mass
331.2375
Exact Mass
330.09018325
Charge
0
InChI
InChI=1S/C15H20Cl2N2O2/c1-2-21-15(20)19-7-3-6-18(8-9-19)11-12-4-5-13(16)10-14(12)17/h4-5,10H,2-3,6-9,11H2,1H3
InChIKey
APDQBUZIBNSYKT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCN(CC1)Cc1ccc(cc1Cl)Cl
Isomeric Smiles
N1(C(=O)OCC)CCN(Cc2ccc(cc2Cl)Cl)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.418307
LogD (pH = 7.4)
3.203559
Log P
3.2328048
Molar Refractivity
85.7692
Polarizability
33.37603
Polar Surface Area
32.78
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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