Molecule

ID:47046

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅ClN₂O
Molecular Mass
284.8248
Exact Mass
284.16554111
Charge
0
InChI
InChI=1S/C15H24N2O.ClH/c1-3-17(4-2)13-7-5-8-14(11-13)18-15-9-6-10-16-12-15;/h5,7-8,11,15-16H,3-4,6,9-10,12H2,1-2H3;1H
InChIKey
DSWPUYBQGXLBGT-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OC1CCCNC1)CC.Cl
Isomeric Smiles
c1c(N(CC)CC)cccc1OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4928524
LogD (pH = 7.4)
0.6838873
Log P
2.7383955
Molar Refractivity
76.3826
Polarizability
29.53141
Polar Surface Area
24.5
Rotatable Bonds
5
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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