Molecule

ID:19505

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO
Molecular Mass
249.3071
Exact Mass
249.11536411
Charge
0
InChI
InChI=1S/C17H15NO/c18-16-10-3-4-11-17(16)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12,18H2
InChIKey
TUGVMEJBZBPMKF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCc1cccc2c1cccc2
Isomeric Smiles
c12c(COc3c(N)cccc3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6667793
LogD (pH = 7.4)
3.7001557
Log P
3.7005985
Molar Refractivity
78.2844
Polarizability
31.207058
Polar Surface Area
35.25
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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