Molecule

ID:86755

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂N₃O₂
Molecular Mass
322.14616
Exact Mass
321.0071819
Charge
0
InChI
InChI=1S/C14H9Cl2N3O2/c15-10-2-1-3-11(7-10)20-8-13-18-14(21-19-13)9-4-5-17-12(16)6-9/h1-7H,8H2
InChIKey
VJMKPLMVVUOOJA-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OCc1noc(n1)c1ccnc(c1)Cl
Isomeric Smiles
n1c(c2ccnc(c2)Cl)onc1COc1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0331273
LogD (pH = 7.4)
4.033128
Log P
4.033128
Molar Refractivity
90.8762
Polarizability
30.800446
Polar Surface Area
61.04
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
No Data Available
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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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