Molecule

ID:113245

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+
InChIKey
RIXCESCQOUSSJX-BQYQJAHWSA-N
Canonic Smiles
CN(c1ccc(cc1)/C=C/[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(/C=C/c1ccc(N(C)C)cc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1939218
LogD (pH = 7.4)
2.2348444
Log P
2.2353919
Molar Refractivity
56.4769
Polarizability
20.562487
Polar Surface Area
49.06
Rotatable Bonds
3
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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