Molecule

ID:71832

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-9-4-2-3-5-11(9)10-6-7-12(14)13-8-10/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKey
YIIVRXWZYPONEV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CN1)c1ccccc1C
Isomeric Smiles
C1C(=O)NCC(C1)c1c(cccc1)C
Calculated Properties
JChem
Acid pKa
14.905899
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8771573
LogD (pH = 7.4)
1.8771576
Log P
1.8771576
Molar Refractivity
56.4667
Polarizability
21.781715
Polar Surface Area
29.1
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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