Molecule

ID:86747

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃O₂
Molecular Mass
324.16204
Exact Mass
323.02283197
Charge
0
InChI
InChI=1S/C14H11Cl2N3O2/c1-8-2-4-10(5-3-8)18-14(21)19-13(20)11-6-9(15)7-17-12(11)16/h2-7H,1H3,(H2,18,19,20,21)
InChIKey
IRAORTVTUYFSLB-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(cc1)C
Isomeric Smiles
N(C(=O)c1c(ncc(c1)Cl)Cl)C(=O)Nc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
6.7883797
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.422581
LogD (pH = 7.4)
2.7572885
Log P
3.4442089
Molar Refractivity
83.3893
Polarizability
30.588572
Polar Surface Area
71.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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