Molecule

ID:77556

General Information
Structure
MolImage
Molecular Formula
C₃H₃NO
Molecular Mass
69.06202
Exact Mass
69.02146372
Charge
0
InChI
InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChIKey
ZCQWOFVYLHDMMC-UHFFFAOYSA-N
Canonic Smiles
c1ncco1
Isomeric Smiles
n1cocc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.08486711
LogD (pH = 7.4)
-0.08486285
Log P
-0.0848628
Molar Refractivity
16.7674
Polarizability
6.345378
Polar Surface Area
26.03
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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