Molecule

ID:75728

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₂O₂
Molecular Mass
285.21058
Exact Mass
284.10583331
Charge
0
InChI
InChI=1S/C11H21ClN2O2.ClH/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;/h4-9H2,1-3H3;1H
InChIKey
ZOVAKPOSNSJIOZ-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCN(CC1)C(=O)OC(C)(C)C.Cl
Isomeric Smiles
N1(CCN(C(=O)OC(C)(C)C)CC1)CCCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0173186
LogD (pH = 7.4)
1.5866416
Log P
1.6019241
Molar Refractivity
65.0819
Polarizability
25.545816
Polar Surface Area
32.78
Rotatable Bonds
4
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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