Molecule

ID:10242

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3
InChIKey
WSDUFDGEYKOQRT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CCN2C(=O)C
Isomeric Smiles
N1(c2c(CC1)cc(cc2)N)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2760935
LogD (pH = 7.4)
0.28585884
Log P
0.2859848
Molar Refractivity
52.0469
Polarizability
19.29576
Polar Surface Area
46.33
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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