Molecule

ID:58083

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKey
HYLFRICFKVJJOZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cn(c2c1cccc2)C
Isomeric Smiles
c1(cn(c2c1cccc2)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.726973
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8533314
LogD (pH = 7.4)
1.8533314
Log P
1.8533314
Molar Refractivity
52.444
Polarizability
21.083029
Polar Surface Area
22.0
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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