Molecule

ID:40985

General Information
Structure
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-12-11(7-10(8-13)14-12)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKey
GXPUVYUVPAHTIV-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(N(O1)C)c1ccccc1
Isomeric Smiles
N1(OC(CC1c1ccccc1)CO)C
Calculated Properties
JChem
Acid pKa
14.606777
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8455276
LogD (pH = 7.4)
0.8455739
Log P
0.84557456
Molar Refractivity
54.082
Polarizability
21.639643
Polar Surface Area
32.7
Rotatable Bonds
2
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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