Molecule

ID:91118

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₂
Molecular Mass
248.10584
Exact Mass
247.01668396
Charge
0
InChI
InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3
InChIKey
PLRVIRHWKQKSAK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(Cl)nc(c1)Cl)OC(C)(C)C
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4614537
LogD (pH = 7.4)
3.4614537
Log P
3.4614537
Molar Refractivity
61.4642
Polarizability
23.336487
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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