Molecule

ID:58173

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-9-4-6-10(7-5-9)11-13-12(2,3)8-14-11/h4-7H,8H2,1-3H3
InChIKey
LBKROYGEIXIACO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1=NC(CO1)(C)C
Isomeric Smiles
C1OC(=NC1(C)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0099971
LogD (pH = 7.4)
3.0189269
Log P
3.0190418
Molar Refractivity
57.4352
Polarizability
21.978722
Polar Surface Area
21.59
Rotatable Bonds
1
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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