Molecule

ID:22015

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂O₃
Molecular Mass
222.24046
Exact Mass
222.10044232
Charge
0
InChI
InChI=1S/C11H14N2O3/c1-9-8-10(2-3-11(9)13(14)15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3
InChIKey
IIRHTTDXNXCWHP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1C)N1CCOCC1
Isomeric Smiles
c1(c(ccc(c1)N1CCOCC1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3161948
LogD (pH = 7.4)
2.3161948
Log P
2.3161948
Molar Refractivity
60.9228
Polarizability
22.455448
Polar Surface Area
55.61
Rotatable Bonds
2
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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