Molecule

ID:68900

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₄NO
Molecular Mass
319.0549
Exact Mass
316.99077483
Charge
0
InChI
InChI=1S/C11H14Cl3NO.ClH/c1-2-3-15-4-5-16-11-9(13)6-8(12)7-10(11)14;/h6-7,15H,2-5H2,1H3;1H
InChIKey
QIAAOZDVLVWSCN-UHFFFAOYSA-N
Canonic Smiles
CCCNCCOc1c(Cl)cc(cc1Cl)Cl.Cl
Isomeric Smiles
C(CC)NCCOc1c(cc(cc1Cl)Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9517501
LogD (pH = 7.4)
1.936855
Log P
4.1426353
Molar Refractivity
68.9326
Polarizability
27.438837
Polar Surface Area
21.26
Rotatable Bonds
6
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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