Molecule

ID:72039

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂
Molecular Mass
251.1959
Exact Mass
250.10035401
Charge
0
InChI
InChI=1S/C11H18N2.2ClH/c1-13(2)9-11-5-3-10(4-6-11)7-8-12;;/h3-6H,7-9,12H2,1-2H3;2*1H
InChIKey
ILHXMRSIZLZITJ-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)CN(C)C.Cl.Cl
Isomeric Smiles
N(Cc1ccc(cc1)CCN)(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.892492
LogD (pH = 7.4)
-2.602202
Log P
1.3290722
Molar Refractivity
57.8291
Polarizability
22.567114
Polar Surface Area
29.26
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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