Molecule

ID:129117

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKey
DTAPQAJKAFRNJB-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Oc1cc(C)cc(c1)C(C)C
Isomeric Smiles
O=C(Oc1cc(cc(c1)C(C)C)C)NC
Calculated Properties
JChem
Acid pKa
14.771932
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2290678
LogD (pH = 7.4)
3.2290678
Log P
3.2290678
Molar Refractivity
59.9958
Polarizability
23.097618
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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