Molecule

ID:44973

General Information
Structure
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Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H,(H2,8,9)
InChIKey
PUTFLLAMOPARNC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1occ2
Isomeric Smiles
c1cnc2c(c1N)occ2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7235748
LogD (pH = 7.4)
0.2680232
Log P
0.47162116
Molar Refractivity
37.0706
Polarizability
14.95072
Polar Surface Area
52.05
Rotatable Bonds
0
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
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Molecule Details
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References
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Bioactivity
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