Molecule

ID:20488

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂O
Molecular Mass
267.1953
Exact Mass
266.09526863
Charge
0
InChI
InChI=1S/C11H18N2O.2ClH/c1-9-8-10(4-5-11(9)12)14-7-6-13(2)3;;/h4-5,8H,6-7,12H2,1-3H3;2*1H
InChIKey
XAGAWYKNLGRUOQ-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(c(c1)C)N)C.Cl.Cl
Isomeric Smiles
c1c(c(cc(c1)OCCN(C)C)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7059385
LogD (pH = 7.4)
0.046250105
Log P
1.5187145
Molar Refractivity
60.2819
Polarizability
22.808477
Polar Surface Area
38.49
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
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Molecule Details
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References
Bioactivity
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