Molecule

ID:57970

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKey
YZTCVXFIENRZAR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)COc1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1c(ccc(c1)OCC(=O)N)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.905743
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0316715
LogD (pH = 7.4)
2.0316715
Log P
2.0316715
Molar Refractivity
59.0939
Polarizability
23.179739
Polar Surface Area
52.32
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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