Molecule

ID:76263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₅
Molecular Mass
296.10404
Exact Mass
295.00142782
Charge
0
InChI
InChI=1S/C8H9Cl2NO.C2H2O4/c9-6-2-1-5(3-7(6)10)8(12)4-11;3-1(4)2(5)6/h1-3,8,12H,4,11H2;(H,3,4)(H,5,6)
InChIKey
DMDRATFMNKMMCW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCC(c1ccc(c(c1)Cl)Cl)O
Isomeric Smiles
O=C(O)C(=O)O.Clc1cc(ccc1Cl)C(O)CN
Calculated Properties
JChem
Acid pKa
14.015144
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2528715
LogD (pH = 7.4)
-0.01470313
Log P
1.6767687
Molar Refractivity
50.1035
Polarizability
19.951385
Polar Surface Area
46.25
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
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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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