Molecule

ID:81042

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂N₂O₂
Molecular Mass
323.17398
Exact Mass
322.02758299
Charge
0
InChI
InChI=1S/C15H12Cl2N2O2/c16-9-10-2-1-3-12(8-10)15(20)19(21)14(18)11-4-6-13(17)7-5-11/h1-8H,9,18H2
InChIKey
VPEXXCJHWCXJMF-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)C(=O)/[N+](=C(/c1ccc(cc1)Cl)\N)/[O-]
Isomeric Smiles
[N+](=C(\c1ccc(cc1)Cl)/N)(/C(=O)c1cc(ccc1)CCl)\[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3370645
LogD (pH = 7.4)
3.3370645
Log P
3.3370645
Molar Refractivity
83.4666
Polarizability
31.435276
Polar Surface Area
71.84
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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