Molecule

ID:40534

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄Cl₂N₂O₂
Molecular Mass
313.17916
Exact Mass
312.04323306
Charge
0
InChI
InChI=1S/C14H14Cl2N2O2/c1-4-20-14(19)13-8(2)17-18(9(13)3)10-5-6-11(15)12(16)7-10/h5-7H,4H2,1-3H3
InChIKey
HEQOTPGEGGVTLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)nn(c1C)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(nc(c(c1C)C(=O)OCC)C)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.958237
LogD (pH = 7.4)
3.9583683
Log P
3.95837
Molar Refractivity
80.5444
Polarizability
30.99573
Polar Surface Area
44.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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