Molecule

ID:56034

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₂
Molecular Mass
178.1879
Exact Mass
178.07422757
Charge
0
InChI
InChI=1S/C9H10N2O2/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12/h1-4H,5-6,10H2
InChIKey
DXRJOYLGTIOAHA-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCN1c1ccccc1N
Isomeric Smiles
N1(C(=O)OCC1)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6926371
LogD (pH = 7.4)
0.69384706
Log P
0.6938625
Molar Refractivity
48.3919
Polarizability
18.169493
Polar Surface Area
55.56
Rotatable Bonds
1
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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