Molecule

ID:84369

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂N₃O
Molecular Mass
270.11466
Exact Mass
269.01226728
Charge
0
InChI
InChI=1S/C11H9Cl2N3O/c1-6-7(5-15-14)11(16-17-6)10-8(12)3-2-4-9(10)13/h2-5H,14H2,1H3
InChIKey
SABNVIQGDYYDKG-UHFFFAOYSA-N
Canonic Smiles
N/N=C/c1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)/C=N/N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2069101
LogD (pH = 7.4)
3.207202
Log P
3.2072058
Molar Refractivity
70.1487
Polarizability
26.801119
Polar Surface Area
64.41
Rotatable Bonds
1
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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