Molecule

ID:34148

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O₂
Molecular Mass
245.14672
Exact Mass
244.07453319
Charge
0
InChI
InChI=1S/C8H16N2O2.2ClH/c1-2-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKey
NMACLUOHDUQDIK-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)N1CCNCC1.Cl.Cl
Isomeric Smiles
C1CNCCN1C(C(=O)O)CC.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.9025593
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.7228024
LogD (pH = 7.4)
-2.4632988
Log P
-2.4623237
Molar Refractivity
45.846
Polarizability
18.314745
Polar Surface Area
52.57
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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