Molecule

ID:82849

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂N₃O₂
Molecular Mass
310.13546
Exact Mass
309.0071819
Charge
0
InChI
InChI=1S/C13H9Cl2N3O2/c14-10-11(15)17(7-16-10)5-6-18-12(19)8-3-1-2-4-9(8)13(18)20/h1-4,7H,5-6H2
InChIKey
DQBIOLXOUAGOLJ-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCn2cnc(c2Cl)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CCn1c(c(Cl)nc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9657004
LogD (pH = 7.4)
1.967283
Log P
1.9673032
Molar Refractivity
76.824
Polarizability
28.24431
Polar Surface Area
55.2
Rotatable Bonds
3
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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