Molecule

ID:72283

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂O
Molecular Mass
253.16872
Exact Mass
252.07961857
Charge
0
InChI
InChI=1S/C10H16N2O.2ClH/c1-12(2)6-7-13-10-5-3-4-9(11)8-10;;/h3-5,8H,6-7,11H2,1-2H3;2*1H
InChIKey
UWUWTAXZZBMJDS-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1cccc(c1)N)C.Cl.Cl
Isomeric Smiles
c1c(N)cccc1OCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.086559
LogD (pH = 7.4)
-0.3935274
Log P
1.0052931
Molar Refractivity
55.2407
Polarizability
21.04352
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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