Molecule

ID:62853

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂O
Molecular Mass
251.15284
Exact Mass
250.0639685
Charge
0
InChI
InChI=1S/C10H14N2O.2ClH/c1-8-3-2-4-9(12-8)10-7-11-5-6-13-10;;/h2-4,10-11H,5-7H2,1H3;2*1H
InChIKey
IEGVZXLLJQLVQM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C1OCCNC1.Cl.Cl
Isomeric Smiles
n1c(C2OCCNC2)cccc1C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7686563
LogD (pH = 7.4)
-0.05127253
Log P
0.5202201
Molar Refractivity
50.0382
Polarizability
20.043985
Polar Surface Area
34.15
Rotatable Bonds
1
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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