Molecule

ID:82133

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKey
FGGBJUOJAKQFRD-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1cccc2c1CCCC2
Isomeric Smiles
[n+]1(cccc2c1CCCC2)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2293001
LogD (pH = 7.4)
1.2293507
Log P
1.2293513
Molar Refractivity
45.0728
Polarizability
16.369802
Polar Surface Area
25.46
Rotatable Bonds
0
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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