Molecule

ID:84371

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂N₃O₂
Molecular Mass
348.18344
Exact Mass
347.02283197
Charge
0
InChI
InChI=1S/C16H11Cl2N3O2/c1-10-12(9-20-19-8-11-4-3-7-22-11)16(21-23-10)15-13(17)5-2-6-14(15)18/h2-9H,1H3
InChIKey
CCINTZCABCTFDS-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1/C=N\N=C\c1ccco1)c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)/C=N\N=C\c1ccco1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.305776
LogD (pH = 7.4)
4.3057766
Log P
4.3057766
Molar Refractivity
91.1546
Polarizability
34.4081
Polar Surface Area
63.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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