Molecule

ID:46274

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)14-6-5-7-15(10-14)18-12-13-8-9-16-11-13;/h5-7,10,13,16H,3-4,8-9,11-12H2,1-2H3;1H
InChIKey
BBHLOYKJEINZSB-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OCC1CNCC1)CC.Cl
Isomeric Smiles
c1(cc(OCC2CNCC2)ccc1)N(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9705273
LogD (pH = 7.4)
-0.74333036
Log P
2.3385813
Molar Refractivity
76.7216
Polarizability
29.531633
Polar Surface Area
24.5
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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