Molecule

ID:55871

General Information
Structure
Molecular Formula
C₁₆H₂₆Cl₂N₂O
Molecular Mass
333.29644
Exact Mass
332.14221882
Charge
0
InChI
InChI=1S/C16H24N2O.2ClH/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14;;/h1-5,15H,6-13,17H2;2*1H
InChIKey
NMTGMNSYUWSLQJ-UHFFFAOYSA-N
Canonic Smiles
NC1CCOC2(C1)CCN(CC2)Cc1ccccc1.Cl.Cl
Isomeric Smiles
C12(OCCC(N)C1)CCN(Cc1ccccc1)CC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9725595
LogD (pH = 7.4)
-2.87874
Log P
1.0107752
Molar Refractivity
78.3476
Polarizability
31.051426
Polar Surface Area
38.49
Rotatable Bonds
2
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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