Molecule

ID:79985

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-7-5-10-6-9(8(2)12-13)3-4-11(10)14-7/h3-4,6-7,13H,5H2,1-2H3
InChIKey
HAZVRAJCAJJYKW-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc2c(c1)CC(O2)C)\C
Isomeric Smiles
O1c2ccc(cc2CC1C)/C(=N/O)/C
Calculated Properties
JChem
Acid pKa
9.030813
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8384963
LogD (pH = 7.4)
1.8291008
Log P
1.8391653
Molar Refractivity
54.4741
Polarizability
20.807014
Polar Surface Area
41.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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