Molecule

ID:40605

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2
InChIKey
IAWQUHCVFXQBMC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nco2
Isomeric Smiles
n1c2cc(N)ccc2oc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49016708
LogD (pH = 7.4)
0.49092972
Log P
0.49093944
Molar Refractivity
37.4235
Polarizability
14.958121
Polar Surface Area
52.05
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
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References
Bioactivity
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