Molecule

ID:90914

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O
Molecular Mass
279.206
Exact Mass
278.09526863
Charge
0
InChI
InChI=1S/C12H18N2O.2ClH/c1-15-12-4-2-10(3-5-12)8-14-7-6-11(13)9-14;;/h2-5,11H,6-9,13H2,1H3;2*1H/t11-;;/m0../s1
InChIKey
XXSIXSNQSIRYFR-IDMXKUIJSA-N
Canonic Smiles
COc1ccc(cc1)CN1CC[C@@H](C1)N.Cl.Cl
Isomeric Smiles
N1(C[C@H](CC1)N)Cc1ccc(cc1)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.08984
LogD (pH = 7.4)
-1.3169547
Log P
0.90818936
Molar Refractivity
61.5803
Polarizability
24.388472
Polar Surface Area
38.49
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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