Molecule

ID:85885

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₂
Molecular Mass
325.18986
Exact Mass
324.04323306
Charge
0
InChI
InChI=1S/C15H14Cl2N2O2/c1-9(2)21-12-5-3-4-11(8-12)18-15(20)10-6-13(16)19-14(17)7-10/h3-9H,1-2H3,(H,18,20)
InChIKey
UOLTUWMWGYUWMW-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)NC(=O)c1cc(Cl)nc(c1)Cl)C
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)Nc1cc(ccc1)OC(C)C)Cl
Calculated Properties
JChem
Acid pKa
11.165139
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.111613
LogD (pH = 7.4)
4.1115427
Log P
4.1116138
Molar Refractivity
86.7974
Polarizability
32.151817
Polar Surface Area
51.22
Rotatable Bonds
4
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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