Molecule

ID:70372

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey
XQABVLBGNWBWIV-UHFFFAOYSA-N
Canonic Smiles
COc1ccncc1
Isomeric Smiles
c1cc(ccn1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.1441437
LogD (pH = 7.4)
0.5496997
Log P
0.5979021
Molar Refractivity
30.3643
Polarizability
11.942049
Polar Surface Area
22.12
Rotatable Bonds
1
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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