Molecule

ID:84471

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO
Molecular Mass
133.14728
Exact Mass
133.05276385
Charge
0
InChI
InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey
VLLSCJFPVSQXDM-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccccc1
Isomeric Smiles
N#CCOc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3515067
LogD (pH = 7.4)
1.3515067
Log P
1.3515067
Molar Refractivity
37.5851
Polarizability
14.526557
Polar Surface Area
33.02
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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