Molecule

ID:73636

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKey
SDDSSZSKEQLSGW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)[nH]c(n2)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)[nH]c2cc(ccc12)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2199697
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.293724
LogD (pH = 7.4)
-0.17753464
Log P
1.6458461
Molar Refractivity
77.3263
Polarizability
27.260149
Polar Surface Area
65.98
Rotatable Bonds
2
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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