Molecule

ID:24043

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O₂
Molecular Mass
273.19988
Exact Mass
272.10583331
Charge
0
InChI
InChI=1S/C10H20N2O2.2ClH/c1-9(3-4-10(13)14)12-7-5-11(2)6-8-12;;/h9H,3-8H2,1-2H3,(H,13,14);2*1H
InChIKey
OIFQMAAOLUFGBA-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCN(CC1)C)CCC(=O)O.Cl.Cl
Isomeric Smiles
N1(C(CCC(=O)O)C)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
4.4253106
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.297078
LogD (pH = 7.4)
-2.2737894
Log P
-2.2708755
Molar Refractivity
55.996
Polarizability
21.98793
Polar Surface Area
43.78
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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