Molecule

ID:85208

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₃N₂O₂
Molecular Mass
311.59212
Exact Mass
310.00426071
Charge
0
InChI
InChI=1S/C11H13Cl3N2O2/c1-2-3-4-5-18-11(17)9-6(12)8(15)7(13)10(14)16-9/h2-5H2,1H3,(H2,15,16)
InChIKey
KQYCKQCWZBLLBP-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
Isomeric Smiles
n1c(c(c(c(c1C(=O)OCCCCC)Cl)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9167535
LogD (pH = 7.4)
3.9167535
Log P
3.9167535
Molar Refractivity
74.2051
Polarizability
28.300339
Polar Surface Area
65.21
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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