Molecule

ID:77017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-5-3-4-7(11)9(8)14-6/h3-6H,11H2,1-2H3
InChIKey
GQOMNROUYXDZGL-UHFFFAOYSA-N
Canonic Smiles
O=C1C(C)Oc2c(N1C)cccc2N
Isomeric Smiles
N1(c2cccc(c2OC(C1=O)C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.34801218
LogD (pH = 7.4)
0.35838443
Log P
0.3585183
Molar Refractivity
53.1353
Polarizability
19.991344
Polar Surface Area
55.56
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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