Molecule

ID:19027

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3
InChIKey
HMYJLVDKPJHJCF-UHFFFAOYSA-N
Canonic Smiles
COc1cc2C(C)NCCc2cc1OC
Isomeric Smiles
c12cc(c(cc1CCNC2C)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4352932
LogD (pH = 7.4)
-0.10311112
Log P
1.6727157
Molar Refractivity
59.9608
Polarizability
23.443918
Polar Surface Area
30.49
Rotatable Bonds
2
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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