Molecule

ID:107542

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇ClN₂O₂
Molecular Mass
270.67058
Exact Mass
270.01960515
Charge
0
InChI
InChI=1S/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1
InChIKey
QAJMZRMIUJJTBN-UHFFFAOYSA-M
Canonic Smiles
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.[Cl-]
Isomeric Smiles
O=C1c2ccccc2C(=O)c2c1cccc2[N+]#N.[Cl-]
Calculated Properties
JChem
Acid pKa
17.7597
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7551997
LogD (pH = 7.4)
2.7551997
Log P
2.7551997
Molar Refractivity
86.7971
Polarizability
24.62313
Polar Surface Area
62.29
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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