Molecule

ID:50519

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5H,2-3,6H2
InChIKey
XNARZJQXBMWIQU-UHFFFAOYSA-N
Canonic Smiles
C1COc2c(C1)nccc2
Isomeric Smiles
c1ccc2c(n1)CCCO2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.69919586
LogD (pH = 7.4)
0.9517509
Log P
0.9562753
Molar Refractivity
37.8511
Polarizability
14.823376
Polar Surface Area
22.12
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
No Data Available
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Molecule Details
References
Bioactivity
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