Molecule

ID:20127

General Information
Structure
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h3-11H,16H2,1-2H3
InChIKey
IURPDABVLJUJCT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccccc1C(C)C
Isomeric Smiles
c1(c(C(C)C)cccc1)Oc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8542464
LogD (pH = 7.4)
3.8891523
Log P
3.8896163
Molar Refractivity
71.19
Polarizability
27.280716
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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