Molecule

ID:14995

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)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3
InChIKey
OOPUFXZJWLZPLC-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccc(cc1)N)OC(C)(C)C
Isomeric Smiles
c1c(ccc(c1)CC(=O)OC(C)(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9517277
LogD (pH = 7.4)
1.9815283
Log P
1.9819219
Molar Refractivity
60.6407
Polarizability
23.2781
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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