Molecule

ID:47049

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇ClN₂O
Molecular Mass
298.85138
Exact Mass
298.18119117
Charge
0
InChI
InChI=1S/C16H26N2O.ClH/c1-3-18(4-2)15-6-5-7-16(12-15)19-13-14-8-10-17-11-9-14;/h5-7,12,14,17H,3-4,8-11,13H2,1-2H3;1H
InChIKey
XEYSIDVMNRJRSC-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OCC1CCNCC1)CC.Cl
Isomeric Smiles
c1(cc(OCC2CCNCC2)ccc1)N(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.55938
LogD (pH = 7.4)
-0.030005557
Log P
2.7415934
Molar Refractivity
81.4214
Polarizability
31.377087
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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