Molecule

ID:61551

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H10N2O2.H2O/c18-15(19)12-4-2-1-3-11(12)14-6-5-10-9-16-8-7-13(10)17-14;/h1-9H,(H,18,19);1H2
InChIKey
WGOXGTNPJFVPMJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1ccc2c(n1)ccnc2.O
Isomeric Smiles
n1c(c2c(C(=O)O)cccc2)ccc2c1ccnc2.O
Calculated Properties
JChem
Acid pKa
3.3463628
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6371668
LogD (pH = 7.4)
-0.7576736
Log P
1.6809845
Molar Refractivity
69.8428
Polarizability
29.37273
Polar Surface Area
63.08
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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