Molecule

ID:39613

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h3-6H,1-2,7-8H2
InChIKey
IXQSJUBRGIJRCV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)N1CCCC1
Isomeric Smiles
C1CCN(C1)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4270675
LogD (pH = 7.4)
2.4270713
Log P
2.4270713
Molar Refractivity
54.3481
Polarizability
19.971886
Polar Surface Area
46.38
Rotatable Bonds
2
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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