Molecule

ID:91554

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO
Molecular Mass
275.34438
Exact Mass
275.13101417
Charge
0
InChI
InChI=1S/C19H17NO/c20-19-9-5-4-8-18(19)16-10-12-17(13-11-16)21-14-15-6-2-1-3-7-15/h1-13H,14,20H2
InChIKey
XKIPQWRPJDHCCW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
Nc1ccccc1c1ccc(cc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.347209
LogD (pH = 7.4)
4.358205
Log P
4.358347
Molar Refractivity
86.9704
Polarizability
34.667618
Polar Surface Area
35.25
Rotatable Bonds
4
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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