Molecule

ID:123881

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-13(9-8-12(14)15-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
KFBMLSVBKSZULA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN(Cc1ccccc1)C
Isomeric Smiles
C(=O)(CCN(Cc1ccccc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3011854
LogD (pH = 7.4)
0.37987456
Log P
1.7755327
Molar Refractivity
60.1538
Polarizability
23.666626
Polar Surface Area
29.54
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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