Molecule

ID:35327

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey
NLMVYUBGWZWUGB-UHFFFAOYSA-N
Canonic Smiles
Nc1noc2c1cccc2
Isomeric Smiles
n1c(c2c(o1)cccc2)N
Calculated Properties
JChem
Acid pKa
16.7324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1221902
LogD (pH = 7.4)
1.1222005
Log P
1.1222007
Molar Refractivity
38.8416
Polarizability
14.963824
Polar Surface Area
52.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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