Molecule

ID:68178

General Information
Structure
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChIKey
CXDXSNWZXJVDMC-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(=O)c1cccc2c1cccc2)C
Isomeric Smiles
C(=O)(CCN(C)C)c1c2ccccc2ccc1
Calculated Properties
JChem
Acid pKa
15.502286
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.04106606
LogD (pH = 7.4)
1.7320689
Log P
2.6488812
Molar Refractivity
71.0394
Polarizability
28.730844
Polar Surface Area
20.31
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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