Molecule

ID:81319

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₄O₂
Molecular Mass
307.17634
Exact Mass
306.06503113
Charge
0
InChI
InChI=1S/C11H16Cl2N4O2/c1-4-17(5-2)10(9(12)13)15-11(18)14-8-6-7(3)19-16-8/h6,9H,4-5H2,1-3H3,(H,14,16,18)
InChIKey
HITZVYYUWCDZNG-UHFFFAOYSA-N
Canonic Smiles
CCN(/C(=N/C(=O)Nc1noc(c1)C)/C(Cl)Cl)CC
Isomeric Smiles
N(=C(\C(Cl)Cl)/N(CC)CC)\C(=O)Nc1noc(c1)C
Calculated Properties
JChem
Acid pKa
9.980191
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1770234
LogD (pH = 7.4)
2.1759543
Log P
2.1770377
Molar Refractivity
77.5903
Polarizability
27.891624
Polar Surface Area
70.73
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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