Molecule

ID:80228

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-14-13(10-6-2-1-3-7-10)16(18)12-9-5-4-8-11(12)15-14/h1-9H,(H,15,17)
InChIKey
JUJNJFGOMPIJOT-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccc2[n+](c1c1ccccc1)[O-]
Isomeric Smiles
[n+]1(c(c(nc2ccccc12)O)c1ccccc1)[O-]
Calculated Properties
JChem
Acid pKa
10.729762
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5757623
LogD (pH = 7.4)
2.5755644
Log P
2.575765
Molar Refractivity
68.6345
Polarizability
28.14081
Polar Surface Area
58.58
Rotatable Bonds
1
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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