Molecule

ID:15834

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈Cl₂N₂O
Molecular Mass
335.31232
Exact Mass
334.15786889
Charge
0
InChI
InChI=1S/C16H26N2O.2ClH/c1-18-11-8-15(9-12-18)13-17-10-7-14-3-5-16(19-2)6-4-14;;/h3-6,15,17H,7-13H2,1-2H3;2*1H
InChIKey
OCPZWROLTULTEY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNCC1CCN(CC1)C.Cl.Cl
Isomeric Smiles
C1(CCN(CC1)C)CNCCc1ccc(cc1)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.427786
LogD (pH = 7.4)
-2.6685643
Log P
2.1499915
Molar Refractivity
80.7933
Polarizability
31.694683
Polar Surface Area
24.5
Rotatable Bonds
6
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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