Molecule

ID:29655

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO₂
Molecular Mass
306.22804
Exact Mass
305.09493428
Charge
0
InChI
InChI=1S/C14H21Cl2NO2/c1-18-9-4-8-17-7-2-3-10-19-14-6-5-12(15)11-13(14)16/h5-6,11,17H,2-4,7-10H2,1H3
InChIKey
HEBKGQPORMBVMY-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCCCNCCCOC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.014551087
LogD (pH = 7.4)
0.3675237
Log P
3.249567
Molar Refractivity
80.2741
Polarizability
31.721674
Polar Surface Area
30.49
Rotatable Bonds
10
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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