Molecule

ID:55548

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂
Molecular Mass
251.1959
Exact Mass
250.10035401
Charge
0
InChI
InChI=1S/C11H18N2.2ClH/c1-12-8-10-5-4-6-11(7-10)9-13(2)3;;/h4-7,12H,8-9H2,1-3H3;2*1H
InChIKey
OWPZIFYCXYKEHY-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)CN(C)C.Cl.Cl
Isomeric Smiles
c1(CN(C)C)cc(CNC)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8272133
LogD (pH = 7.4)
-2.1846743
Log P
1.4729915
Molar Refractivity
57.8487
Polarizability
22.64567
Polar Surface Area
15.27
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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