Molecule

ID:33598

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O₃
Molecular Mass
287.09882
Exact Mass
285.99119749
Charge
0
InChI
InChI=1S/C11H8Cl2N2O3/c1-17-8-3-2-6(10(13)16)4-7(8)11-14-9(5-12)18-15-11/h2-4H,5H2,1H3
InChIKey
LEQPVJXSRHXFNP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1c1noc(n1)CCl)C(=O)Cl
Isomeric Smiles
c1(nc(on1)CCl)c1cc(C(=O)Cl)ccc1OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8208418
LogD (pH = 7.4)
2.8208418
Log P
2.8208418
Molar Refractivity
78.857
Polarizability
25.80508
Polar Surface Area
65.22
Rotatable Bonds
4
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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