Molecule

ID:55252

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃Cl₂N₃O₂
Molecular Mass
300.22522
Exact Mass
299.11673235
Charge
0
InChI
InChI=1S/C11H21N3O2.2ClH/c12-10-1-3-13(4-2-10)9-11(15)14-5-7-16-8-6-14;;/h10H,1-9,12H2;2*1H
InChIKey
UGIBZZWTQFWHMR-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC(=O)N1CCOCC1.Cl.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)CN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.7890115
LogD (pH = 7.4)
-4.4588714
Log P
-1.6987604
Molar Refractivity
62.1446
Polarizability
24.498173
Polar Surface Area
58.8
Rotatable Bonds
2
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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