Molecule

ID:13820

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂O
Molecular Mass
267.1953
Exact Mass
266.09526863
Charge
0
InChI
InChI=1S/C11H18N2O.2ClH/c12-8-11(14)9-13-7-6-10-4-2-1-3-5-10;;/h1-5,11,13-14H,6-9,12H2;2*1H
InChIKey
OVUOSBGAQAYRBA-UHFFFAOYSA-N
Canonic Smiles
NCC(CNCCc1ccccc1)O.Cl.Cl
Isomeric Smiles
c1(CCNCC(CN)O)ccccc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.542332
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.9091067
LogD (pH = 7.4)
-2.541423
Log P
0.3929371
Molar Refractivity
57.9733
Polarizability
23.146221
Polar Surface Area
58.28
Rotatable Bonds
6
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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