Molecule

ID:30306

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O₃
Molecular Mass
275.1727
Exact Mass
274.08509787
Charge
0
InChI
InChI=1S/C9H18N2O3.2ClH/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14;;/h12H,1-8H2,(H,13,14);2*1H
InChIKey
MZSFLIGFNMXBLC-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)CCC(=O)O.Cl.Cl
Isomeric Smiles
N1(CCC(=O)O)CCN(CC1)CCO.Cl.Cl
Calculated Properties
JChem
Acid pKa
2.6259024
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.669289
LogD (pH = 7.4)
-3.6811442
Log P
-3.6633735
Molar Refractivity
53.1145
Polarizability
20.802572
Polar Surface Area
64.01
Rotatable Bonds
5
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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