Molecule

ID:22706

General Information
Structure
Molecular Formula
C₁₄H₁₂Cl₂N₂O
Molecular Mass
295.16388
Exact Mass
294.03266837
Charge
0
InChI
InChI=1S/C14H12Cl2N2O/c1-8-2-4-10(17)7-13(8)18-14(19)11-5-3-9(15)6-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKey
DZOPJSXNIISWNQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)Nc1cc(N)ccc1C
Isomeric Smiles
c1(C(=O)Nc2cc(N)ccc2C)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.503467
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9456832
LogD (pH = 7.4)
3.9575584
Log P
3.9577155
Molar Refractivity
80.9427
Polarizability
29.618357
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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