Molecule

ID:70145

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKey
GRRIMVWABNHKBX-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OC
Isomeric Smiles
NCc1cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0394537
LogD (pH = 7.4)
-1.0473943
Log P
0.941343
Molar Refractivity
40.9946
Polarizability
16.220829
Polar Surface Area
35.25
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
No Data Available
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Molecule Details
References
Bioactivity
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