Molecule

ID:62152

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅Cl₂N₃O
Molecular Mass
286.2417
Exact Mass
285.1374678
Charge
0
InChI
InChI=1S/C11H23N3O.2ClH/c1-14(2)9-11(15)13-8-6-10-5-3-4-7-12-10;;/h10,12H,3-9H2,1-2H3,(H,13,15);2*1H
InChIKey
ORQCZVURMKNLNO-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)NCCC1CCCCN1)C.Cl.Cl
Isomeric Smiles
C(=O)(NCCC1NCCCC1)CN(C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.107426
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.5329466
LogD (pH = 7.4)
-3.409574
Log P
-0.30942425
Molar Refractivity
62.1936
Polarizability
24.521858
Polar Surface Area
44.37
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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