Molecule

ID:86008

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₃N₂O₂
Molecular Mass
329.56588
Exact Mass
327.95731051
Charge
0
InChI
InChI=1S/C13H7Cl3N2O2/c14-10-4-1-5-11(15)9(10)7-18-20-13(19)8-3-2-6-17-12(8)16/h1-7H
InChIKey
REFPJAYCACCSMH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)O/N=C/c1c(Cl)cccc1Cl
Isomeric Smiles
N(=C\c1c(cccc1Cl)Cl)/OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7069335
LogD (pH = 7.4)
4.706934
Log P
4.706934
Molar Refractivity
79.6045
Polarizability
30.0004
Polar Surface Area
51.55
Rotatable Bonds
4
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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