Molecule

ID:82170

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-13-10-6-2-3-7-11(10)15-14(18)12(13)16-8-4-1-5-9-16/h1-9H,(H-,15,17,18)
InChIKey
LSTBESQBKXXJNB-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2ccccc2c(c1[n+]1ccccc1)[O-]
Isomeric Smiles
[n+]1(ccccc1)c1c(c2c(cccc2)[nH]c1=O)[O-]
Calculated Properties
JChem
Acid pKa
3.608161
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1358693
LogD (pH = 7.4)
-2.1323586
Log P
-2.602746
Molar Refractivity
81.4844
Polarizability
25.486265
Polar Surface Area
56.04
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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