Molecule

ID:86934

General Information
Structure
MolImage
Molecular Formula
C₅H₃NO
Molecular Mass
93.08342
Exact Mass
93.02146372
Charge
0
InChI
InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H
InChIKey
YXDXXGXWFJCXEB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccco1
Isomeric Smiles
N#Cc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.88958865
LogD (pH = 7.4)
0.88958865
Log P
0.88958865
Molar Refractivity
24.1705
Polarizability
9.047047
Polar Surface Area
36.93
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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