Molecule

ID:70159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-2-12-7-3-4-9-5-6-10(13(14)15)8-11(9)12/h5-6,8H,2-4,7H2,1H3
InChIKey
TUCATNRJGJWEKT-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCc2c1cc(cc2)[N+](=O)[O-]
Isomeric Smiles
N1(CCCc2ccc(cc12)[N+](=O)[O-])CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8622627
LogD (pH = 7.4)
2.8625355
Log P
2.862539
Molar Refractivity
59.4663
Polarizability
21.732777
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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