Molecule

ID:15011

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O
Molecular Mass
241.07344
Exact Mass
239.98571818
Charge
0
InChI
InChI=1S/C10H6Cl2N2O/c11-7-3-1-2-6(4-7)10-8(12)5-9(15)13-14-10/h1-5,10H
InChIKey
MPFNIHFALMDKFS-UHFFFAOYSA-N
Canonic Smiles
ClC1=CC(=O)N=NC1c1cccc(c1)Cl
Isomeric Smiles
N1=NC(C(=CC1=O)Cl)c1cccc(c1)Cl
Calculated Properties
JChem
Acid pKa
7.319944
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5075326
LogD (pH = 7.4)
2.1714208
Log P
2.5140543
Molar Refractivity
58.901
Polarizability
22.267832
Polar Surface Area
41.79
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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