Molecule

ID:47020

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-3-10(2)13-8-11(15)4-5-14(13)17-12-6-7-16-9-12;/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3;1H
InChIKey
JXADWWKFGCQECA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(Cl)ccc1OC1CNCC1)C.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)C(CC)C)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46253327
LogD (pH = 7.4)
0.94790274
Log P
3.6929955
Molar Refractivity
71.4088
Polarizability
28.311113
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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