Molecule

ID:43704

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)
InChIKey
FNWSPWKYYZASIN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CCNC1=O
Isomeric Smiles
C1(=O)N(c2ccc(cc2)OC)CCN1
Calculated Properties
JChem
Acid pKa
15.585563
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6359566
LogD (pH = 7.4)
0.6359566
Log P
0.6359566
Molar Refractivity
52.1045
Polarizability
19.983343
Polar Surface Area
41.57
Rotatable Bonds
2
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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