Molecule

ID:64043

General Information
Structure
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c13-9-11-6-7-12(11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey
RPRDXAKZYYOKSG-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN1Cc1ccccc1
Isomeric Smiles
C1N(Cc2ccccc2)C(CO)C1
Calculated Properties
JChem
Acid pKa
15.109798
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6970401
LogD (pH = 7.4)
0.055348985
Log P
1.1727425
Molar Refractivity
53.4596
Polarizability
20.963243
Polar Surface Area
23.47
Rotatable Bonds
3
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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