Molecule

ID:14745

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-11-7-8-14-12(11,2)13-10-6-4-3-5-9(10)11/h3-6,13H,7-8H2,1-2H3
InChIKey
VMUKXPKOVINFFM-UHFFFAOYSA-N
Canonic Smiles
CC12CCOC2(C)Nc2c1cccc2
Isomeric Smiles
C12(c3c(NC1(OCC2)C)cccc3)C
Calculated Properties
JChem
Acid pKa
12.728708
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2823186
LogD (pH = 7.4)
2.2823167
Log P
2.2823186
Molar Refractivity
57.5024
Polarizability
21.670773
Polar Surface Area
21.26
Rotatable Bonds
0
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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