Molecule

ID:23502

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₂O
Molecular Mass
295.16388
Exact Mass
294.03266837
Charge
0
InChI
InChI=1S/C14H12Cl2N2O/c1-8-12(17)3-2-4-13(8)18-14(19)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3,(H,18,19)
InChIKey
TYDFFKLYEPZPNB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.748769
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9539871
LogD (pH = 7.4)
3.9576664
Log P
3.9577155
Molar Refractivity
80.9427
Polarizability
29.599983
Polar Surface Area
55.12
Rotatable Bonds
2
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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