Molecule

ID:43657

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey
BHQNJNLXFVJFFI-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2ccccc2c(=O)n1c1ccccc1
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.405015
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.628577
LogD (pH = 7.4)
2.6281743
Log P
2.628582
Molar Refractivity
68.4504
Polarizability
25.235958
Polar Surface Area
49.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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