Molecule

ID:23133

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₂O₂
Molecular Mass
311.16328
Exact Mass
310.02758299
Charge
0
InChI
InChI=1S/C14H12Cl2N2O2/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19)
InChIKey
IVGULLKIRSKWBL-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)COc1ccc(cc1)Cl
Isomeric Smiles
c1(cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
12.540962
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1067376
LogD (pH = 7.4)
3.1070166
Log P
3.1070232
Molar Refractivity
81.1931
Polarizability
30.392485
Polar Surface Area
64.35
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
Molecule Details
References
Bioactivity
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