Molecule

ID:20110

General Information
Structure
Molecular Formula
C₁₁H₂₀Cl₂N₂O
Molecular Mass
267.1953
Exact Mass
266.09526863
Charge
0
InChI
InChI=1S/C11H18N2O.2ClH/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11;;/h4-7H,3,8-9,12H2,1-2H3;2*1H
InChIKey
KUOBNXIUYDCXPC-UHFFFAOYSA-N
Canonic Smiles
CN(CCCOc1ccc(cc1)N)C.Cl.Cl
Isomeric Smiles
c1(N)ccc(cc1)OCCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3680565
LogD (pH = 7.4)
-0.7895212
Log P
1.0652529
Molar Refractivity
60.1061
Polarizability
22.88724
Polar Surface Area
38.49
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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