Molecule

ID:6255

General Information
Structure
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Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
InChIKey
ZOAMBXDOGPRZLP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1c[nH]c2c1cccc2
Isomeric Smiles
O=C(N)Cc1c[nH]c2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
0.90
LogD (pH = 5.5)
0.90
Log P
0.90
Rotatable Bonds
2
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.94
Polar Surface Area
58.88
Polarizability
18.19
Molar Refractivity
50.27
LOG S
-1.99
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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