Molecule

ID:50524

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O₂
Molecular Mass
263.12048
Exact Mass
262.02758299
Charge
0
InChI
InChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey
GOYRULDGADITLD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1nccc(c1Cl)Cl)OC(C)(C)C
Isomeric Smiles
c1cnc(c(c1Cl)Cl)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.539771
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4690547
LogD (pH = 7.4)
3.469078
Log P
3.4690814
Molar Refractivity
64.1164
Polarizability
24.447908
Polar Surface Area
51.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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