Molecule

ID:28634

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₃
Molecular Mass
266.2515
Exact Mass
266.06914219
Charge
0
InChI
InChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKey
KJSLGQIRTJNTKD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1
Isomeric Smiles
o1c(nnc1c1ccccc1)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.7017193
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8646598
LogD (pH = 7.4)
-0.64297235
Log P
2.661809
Molar Refractivity
94.443
Polarizability
28.317223
Polar Surface Area
76.22
Rotatable Bonds
3
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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