Molecule

ID:81373

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₄O
Molecular Mass
250.68424
Exact Mass
250.06213867
Charge
0
InChI
InChI=1S/C11H11ClN4O/c1-16-10(12)7-9(15-16)11(17)14-13-8-5-3-2-4-6-8/h2-7,13H,1H3,(H,14,17)
InChIKey
FXFQERDBOAROSU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nn(c(c1)Cl)C)NNc1ccccc1
Isomeric Smiles
n1c(cc(n1C)Cl)C(=O)NNc1ccccc1
Calculated Properties
JChem
Acid pKa
11.513284
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.058854
LogD (pH = 7.4)
2.0588253
Log P
2.0588548
Molar Refractivity
78.1543
Polarizability
24.427689
Polar Surface Area
58.95
Rotatable Bonds
3
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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