Molecule

ID:84349

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂N₃O
Molecular Mass
274.14642
Exact Mass
273.04356741
Charge
0
InChI
InChI=1S/C11H13Cl2N3O/c12-9-6-8(7-10(13)15-9)14-11(17)16-4-2-1-3-5-16/h6-7H,1-5H2,(H,14,15,17)
InChIKey
YPRPXOKNQFXXKM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)N1CCCCC1)Cl
Calculated Properties
JChem
Acid pKa
12.418609
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6059
LogD (pH = 7.4)
2.6058962
Log P
2.6059003
Molar Refractivity
71.1084
Polarizability
26.041656
Polar Surface Area
45.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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