Molecule

ID:76471

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c15-13(17)7-1-3-9-11(5-7)10-4-2-8(14(16)18)6-12(9)10/h1-6H,(H2,15,17)(H2,16,18)
InChIKey
RQSSAULZYQXWNP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc2c(c1)c1c2cc(cc1)C(=O)N
Isomeric Smiles
NC(=O)c1cc2c(cc1)c1cc(ccc21)C(=O)N
Calculated Properties
JChem
Acid pKa
14.246498
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9957312
LogD (pH = 7.4)
0.99573135
Log P
0.9957313
Molar Refractivity
68.4292
Polarizability
27.59314
Polar Surface Area
86.18
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
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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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