Molecule

ID:106813

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₁NO₂
Molecular Mass
273.28544
Exact Mass
273.0789786
Charge
0
InChI
InChI=1S/C18H11NO2/c20-17-15-7-3-4-8-16(15)18(21)19(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKey
SWZVZDHOTBBAPC-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccc3c(c2)cccc3)C(=O)c2c1cccc2
Isomeric Smiles
O=C1N(C(=O)c2ccccc12)c1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5645342
LogD (pH = 7.4)
3.5645344
Log P
3.5645344
Molar Refractivity
80.4393
Polarizability
31.630667
Polar Surface Area
37.38
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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