Molecule

ID:44441

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₂
Molecular Mass
239.26922
Exact Mass
239.09462866
Charge
0
InChI
InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2
InChIKey
SVWKIGRDISDRLO-UHFFFAOYSA-N
Canonic Smiles
c1cc(OCC2CO2)c2c(c1)[nH]c1c2cccc1
Isomeric Smiles
[nH]1c2c(c3c1cccc3)c(OCC1OC1)ccc2
Calculated Properties
JChem
Acid pKa
14.937204
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.774481
LogD (pH = 7.4)
2.774481
Log P
2.774481
Molar Refractivity
68.6801
Polarizability
29.284798
Polar Surface Area
37.55
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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