Molecule

ID:30580

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O₂
Molecular Mass
273.19988
Exact Mass
272.10583331
Charge
0
InChI
InChI=1S/C10H20N2O2.2ClH/c1-8(10(13)14)12(3)9-4-6-11(2)7-5-9;;/h8-9H,4-7H2,1-3H3,(H,13,14);2*1H
InChIKey
NFBVPNDENMQSLM-UHFFFAOYSA-N
Canonic Smiles
CC(N(C1CCN(CC1)C)C)C(=O)O.Cl.Cl
Isomeric Smiles
N(C(C(=O)O)C)(C1CCN(CC1)C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
2.0310154
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.151916
LogD (pH = 7.4)
-2.6727726
Log P
-2.478835
Molar Refractivity
56.0177
Polarizability
21.98793
Polar Surface Area
43.78
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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