Molecule
ID:75079
General Information
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2
InChIKey
ZLIGRGHTISHYNH-UHFFFAOYSA-N
Canonic Smiles
O/N=C/Cc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2ccccc12)C/C=N/O
Calculated Properties
JChem
Acid pKa
10.429574
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5591072
LogD (pH = 7.4)
1.5601904
Log P
1.5606196
Molar Refractivity
51.3484
Polarizability
20.659702
Polar Surface Area
48.38
Rotatable Bonds
2
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
No Data Available
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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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