Molecule

ID:58672

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)9-11-10-17-11/h1-8,11H,9-10H2
InChIKey
VAJIZAPXBKMPRO-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)n(CC1CO1)c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)c1c(n2CC2CO2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1558285
LogD (pH = 7.4)
3.1558285
Log P
3.1558285
Molar Refractivity
67.1136
Polarizability
28.596397
Polar Surface Area
17.46
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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