Molecule

ID:46065

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO
Molecular Mass
239.31228
Exact Mass
239.13101417
Charge
0
InChI
InChI=1S/C16H17NO/c1-2-4-13(5-3-1)10-14-6-8-15(9-7-14)18-16-11-17-12-16/h1-9,16-17H,10-12H2
InChIKey
VBGMADCIHLBMAS-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
N1CC(Oc2ccc(Cc3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.57552314
LogD (pH = 7.4)
2.2226727
Log P
3.4312072
Molar Refractivity
72.684
Polarizability
28.728662
Polar Surface Area
21.26
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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