Molecule

ID:77018

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-2-12-8-5-3-4-7(11)10(8)14-6-9(12)13/h3-5H,2,6,11H2,1H3
InChIKey
FVHHBMSGTYAHSA-UHFFFAOYSA-N
Canonic Smiles
CCN1C(=O)COc2c1cccc2N
Isomeric Smiles
N1(c2cccc(c2OCC1=O)N)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1358098
LogD (pH = 7.4)
0.14642496
Log P
0.14656201
Molar Refractivity
53.39
Polarizability
19.991383
Polar Surface Area
55.56
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
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References
Bioactivity
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