Molecule

ID:16623

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2
InChIKey
ZQGGRBIDRBYUJS-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)N1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46130994
LogD (pH = 7.4)
0.47294882
Log P
0.47309926
Molar Refractivity
51.6326
Polarizability
19.299576
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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