Molecule

ID:118342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-8(14)12-6-2-3-9-4-5-10(13(15)16)7-11(9)12/h4-5,7H,2-3,6H2,1H3
InChIKey
NGMSPEMFJFMGQB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCc2c1cc(cc2)[N+](=O)[O-]
Isomeric Smiles
N1(c2cc([N+](=O)[O-])ccc2CCC1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4994636
LogD (pH = 7.4)
1.4994636
Log P
1.4994636
Molar Refractivity
59.2722
Polarizability
21.899717
Polar Surface Area
66.13
Rotatable Bonds
1
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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