Molecule

ID:23155

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₂O₂
Molecular Mass
311.16328
Exact Mass
310.02758299
Charge
0
InChI
InChI=1S/C14H12Cl2N2O2/c15-10-6-5-9(7-12(10)17)18-14(19)8-20-13-4-2-1-3-11(13)16/h1-7H,8,17H2,(H,18,19)
InChIKey
NXGPYADLENCSPA-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)COc1ccccc1Cl
Isomeric Smiles
c1(cc(NC(=O)COc2c(Cl)cccc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
12.539759
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1068017
LogD (pH = 7.4)
3.1070173
Log P
3.1070232
Molar Refractivity
81.1931
Polarizability
30.418264
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
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Molecule Details
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References
Bioactivity
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