Molecule

ID:24997

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(10)9(12)11-8(5)6/h2-4,7H,10H2,1H3,(H,11,12)
InChIKey
KAOBWWMVOBYGHK-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1N)cccc2C
Isomeric Smiles
N1C(=O)C(c2c1c(ccc2)C)N
Calculated Properties
JChem
Acid pKa
12.799255
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2522335
LogD (pH = 7.4)
0.37836626
Log P
0.7634313
Molar Refractivity
47.6218
Polarizability
17.761805
Polar Surface Area
55.12
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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