Molecule

ID:47088

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-2-12-8-13(5-6-14(12)15)17-10-11-4-3-7-16-9-11;/h5-6,8,11,16H,2-4,7,9-10H2,1H3;1H
InChIKey
YOVMPOYGBCUKBB-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(OCC2CCCNC2)ccc1Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)OCC1CNCCC1)Cl)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30163774
LogD (pH = 7.4)
0.95922494
Log P
3.523525
Molar Refractivity
71.8438
Polarizability
28.31139
Polar Surface Area
21.26
Rotatable Bonds
4
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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