Molecule

ID:46954

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-10-7-11(2)14(13(15)8-10)17-9-12-3-5-16-6-4-12;/h7-8,12,16H,3-6,9H2,1-2H3;1H
InChIKey
FGGDSMBMVRSHPE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OCC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1C)C)Cl)OCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31940007
LogD (pH = 7.4)
0.78017086
Log P
3.5508208
Molar Refractivity
72.3828
Polarizability
28.261745
Polar Surface Area
21.26
Rotatable Bonds
3
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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