Molecule

ID:48054

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c1-14(12-7-8-13-9-12)10-11-5-3-2-4-6-11;;/h2-6,12-13H,7-10H2,1H3;2*1H
InChIKey
PRWKKVNQJXCJIZ-UHFFFAOYSA-N
Canonic Smiles
CN(C1CNCC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N(Cc1ccccc1)(C1CCNC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7071824
LogD (pH = 7.4)
-1.5490644
Log P
1.498441
Molar Refractivity
59.8917
Polarizability
23.75333
Polar Surface Area
15.27
Rotatable Bonds
3
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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