Molecule

ID:39776

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-5-19-15(18)13(11-17)10-12-6-8-14(9-7-12)16(2,3)4/h6-10H,5H2,1-4H3/b13-10+
InChIKey
RTRPXXBSAKUJNP-JLHYYAGUSA-N
Canonic Smiles
CCOC(=O)/C(=C/c1ccc(cc1)C(C)(C)C)/C#N
Isomeric Smiles
c1c(ccc(c1)/C=C(/C(=O)OCC)\C#N)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2290363
LogD (pH = 7.4)
4.2290363
Log P
4.2290363
Molar Refractivity
76.2971
Polarizability
29.10003
Polar Surface Area
50.09
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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