Molecule

ID:46476

General Information
Structure
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-11-4-5-13(15)14(9-11)17-8-6-12-3-2-7-16-10-12;/h4-5,9,12,16H,2-3,6-8,10H2,1H3;1H
InChIKey
XMWWYAINAXDJES-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCC1CCCNC1)Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)C)Cl)OCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24764606
LogD (pH = 7.4)
0.62369615
Log P
3.4819682
Molar Refractivity
71.9426
Polarizability
28.335579
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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