Molecule

ID:84331

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₄O₃
Molecular Mass
319.14398
Exact Mass
318.02864562
Charge
0
InChI
InChI=1S/C11H12Cl2N4O3/c12-8-5-7(6-9(13)14-8)10(18)15-11(19)16-17-1-3-20-4-2-17/h5-6H,1-4H2,(H2,15,16,18,19)
InChIKey
GFICMJFLOONEAL-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1cc(Cl)nc(c1)Cl)NN1CCOCC1
Isomeric Smiles
N(C(=O)NN1CCOCC1)C(=O)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.534762
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.5604743
LogD (pH = 7.4)
0.5574819
Log P
0.56051415
Molar Refractivity
75.1222
Polarizability
28.193583
Polar Surface Area
83.56
Rotatable Bonds
2
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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