Molecule

ID:46612

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-11-10-13(5-6-14(11)15)17-9-7-12-4-2-3-8-16-12;/h5-6,10,12,16H,2-4,7-9H2,1H3;1H
InChIKey
QJBHBBBCXHGIQE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)OCCC1NCCCC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3131954
LogD (pH = 7.4)
0.90609795
Log P
3.5387301
Molar Refractivity
71.7692
Polarizability
28.311626
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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