Molecule

ID:37080

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀N₂O₃
Molecular Mass
290.2729
Exact Mass
290.06914219
Charge
0
InChI
InChI=1S/C17H10N2O3/c20-16-13-8-10-4-1-2-5-11(10)9-14(13)18-15-12(17(21)22)6-3-7-19(15)16/h1-9H,(H,21,22)
InChIKey
OSKFWHVKBOWROV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
Isomeric Smiles
c1ccc2c(c1)cc1c(c2)nc2n(c1=O)cccc2C(=O)O
Calculated Properties
JChem
Acid pKa
3.7908454
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6858337
LogD (pH = 7.4)
-0.86945456
Log P
2.3973105
Molar Refractivity
83.4938
Polarizability
30.98635
Polar Surface Area
69.97
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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