Molecule

ID:64292

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey
WKSXRWSOSLGSTN-UHFFFAOYSA-N
Canonic Smiles
COc1cnccn1
Isomeric Smiles
n1c(OC)cncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.025315356
LogD (pH = 7.4)
-0.025312806
Log P
-0.025312774
Molar Refractivity
28.5209
Polarizability
11.073597
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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