Molecule

ID:22811

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₂O₂
Molecular Mass
311.16328
Exact Mass
310.02758299
Charge
0
InChI
InChI=1S/C14H12Cl2N2O2/c1-20-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19)
InChIKey
PYJAIQMSTWXEGT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1ccc(cc1Cl)Cl)N
Isomeric Smiles
c1(C(=O)Nc2cc(N)ccc2OC)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.562569
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2599368
LogD (pH = 7.4)
3.2862458
Log P
3.2866228
Molar Refractivity
82.3647
Polarizability
30.401678
Polar Surface Area
64.35
Rotatable Bonds
3
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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