Molecule

ID:84352

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂N₃O
Molecular Mass
310.17852
Exact Mass
309.04356741
Charge
0
InChI
InChI=1S/C14H13Cl2N3O/c15-12-8-11(9-13(16)19-12)18-14(20)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,18,19,20)
InChIKey
SZHVZCICXYSISQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)NCCc1ccccc1
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)NCCc1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
12.558102
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.5449922
LogD (pH = 7.4)
3.5449893
Log P
3.5449922
Molar Refractivity
83.4373
Polarizability
30.78207
Polar Surface Area
54.02
Rotatable Bonds
4
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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