Molecule

ID:125441

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3
InChIKey
HYVPPECPQRBJEQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c(cc1C1CC1N)OC
Isomeric Smiles
O(c1c(cc(OC)c(c1)C1CC1N)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4559083
LogD (pH = 7.4)
-0.55868363
Log P
1.5369613
Molar Refractivity
59.6642
Polarizability
23.369947
Polar Surface Area
44.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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