Molecule

ID:23165

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₂O
Molecular Mass
295.16388
Exact Mass
294.03266837
Charge
0
InChI
InChI=1S/C14H12Cl2N2O/c15-10-3-1-9(2-4-10)7-14(19)18-11-5-6-12(16)13(17)8-11/h1-6,8H,7,17H2,(H,18,19)
InChIKey
RUIVLTRVHLKVTJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)Cc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)Cc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
13.865353
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.424102
LogD (pH = 7.4)
3.4244547
Log P
3.4244595
Molar Refractivity
79.9529
Polarizability
29.686678
Polar Surface Area
55.12
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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