Molecule

ID:18882

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-8(2)12(13)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8,12H,5-6,13H2,1-2H3
InChIKey
XEPNGVDTSFPMME-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1ccc2c(c1)OCCO2)N)C
Isomeric Smiles
c1(cc2c(OCCO2)cc1)C(N)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0909419
LogD (pH = 7.4)
-0.3482079
Log P
1.916217
Molar Refractivity
58.9032
Polarizability
23.523045
Polar Surface Area
44.48
Rotatable Bonds
2
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
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References
Bioactivity
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