Molecule

ID:53007

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
InChIKey
CFPIZMWTMRWZRO-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)[N+](=O)[O-])CC
Isomeric Smiles
c1(ccc(cc1)N(CC)CC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7348456
LogD (pH = 7.4)
2.7348893
Log P
2.7348897
Molar Refractivity
57.3085
Polarizability
20.693178
Polar Surface Area
49.06
Rotatable Bonds
4
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
References
Bioactivity
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