Molecule

ID:84663

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₂N₄O₂
Molecular Mass
361.1822
Exact Mass
360.01808094
Charge
0
InChI
InChI=1S/C16H9ClN4O2.ClH/c17-16-15-14(10-4-2-1-3-5-10)12-8-11(21(22)23)6-7-13(12)20(15)9-18-19-16;/h1-9H;1H
InChIKey
QTZGXCUIEXZZBS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)c(c1ccccc1)c1n2cnnc1Cl.Cl
Isomeric Smiles
n12c(c(c3cc(ccc13)[N+](=O)[O-])c1ccccc1)c(nnc2)Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.861945
LogD (pH = 7.4)
2.861945
Log P
2.861945
Molar Refractivity
90.8547
Polarizability
35.36577
Polar Surface Area
76.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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