Molecule

ID:41608

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₃
Molecular Mass
222.24046
Exact Mass
222.10044232
Charge
0
InChI
InChI=1S/C11H14N2O3/c14-11-5-7-12(8-6-11)9-1-3-10(4-2-9)13(15)16/h1-4,11,14H,5-8H2
InChIKey
RNPWPESLLCUROD-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1)N1CCC(CC1)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
15.177862
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3393264
LogD (pH = 7.4)
1.3393334
Log P
1.3393334
Molar Refractivity
61.5356
Polarizability
22.458014
Polar Surface Area
69.29
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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