Molecule

ID:92809

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8-9H,4-7H2
InChIKey
LQORKFSMUOSSQM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)N1CCOCC1
Isomeric Smiles
N1(c2cccc(c2)C=O)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5752882
LogD (pH = 7.4)
1.5752915
Log P
1.5752915
Molar Refractivity
56.1451
Polarizability
20.690165
Polar Surface Area
29.54
Rotatable Bonds
2
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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