Molecule

ID:86707

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c16-9-11-4-3-5-12(8-11)10-17-13-6-1-2-7-14(13)19-15(17)18/h1-8H,10H2
InChIKey
GZGXPVQBWUZVQJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Cn1c(=O)oc2c1cccc2
Isomeric Smiles
n1(c(=O)oc2ccccc12)Cc1cccc(c1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.776262
LogD (pH = 7.4)
2.776262
Log P
2.776262
Molar Refractivity
69.7143
Polarizability
26.566038
Polar Surface Area
53.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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