Molecule

ID:43734

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₃N₂O₂
Molecular Mass
281.52308
Exact Mass
279.95731051
Charge
0
InChI
InChI=1S/C9H7Cl3N2O2/c10-4-8(15)13-14-9(16)6-2-1-5(11)3-7(6)12/h1-3H,4H2,(H,13,15)(H,14,16)
InChIKey
GYTBHWHVEUKKPH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)NNC(=O)CCl)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
6.1789584
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9075392
LogD (pH = 7.4)
1.1954446
Log P
1.97987
Molar Refractivity
62.3651
Polarizability
23.897959
Polar Surface Area
58.2
Rotatable Bonds
3
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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