Molecule

ID:48228

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅Cl₂N₃O
Molecular Mass
286.2417
Exact Mass
285.1374678
Charge
0
InChI
InChI=1S/C11H23N3O.2ClH/c15-9-8-13-4-6-14(7-5-13)10-11-2-1-3-12-11;;/h11-12,15H,1-10H2;2*1H
InChIKey
GHGJNEAVYFREOY-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)CC1CCCN1.Cl.Cl
Isomeric Smiles
N1(CC2NCCC2)CCN(CC1)CCO.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593107
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.1151633
LogD (pH = 7.4)
-4.195372
Log P
-0.55165184
Molar Refractivity
62.2661
Polarizability
24.732004
Polar Surface Area
38.74
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
Molecule Details
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References
Bioactivity
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