Molecule

ID:44176

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₃
Molecular Mass
234.25116
Exact Mass
234.10044232
Charge
0
InChI
InChI=1S/C12H14N2O3/c15-9-10-8-11(14(16)17)4-5-12(10)13-6-2-1-3-7-13/h4-5,8-9H,1-3,6-7H2
InChIKey
WPONLEWKUHGAEI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1N1CCCCC1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1C=O)[N+](=O)[O-])N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5841422
LogD (pH = 7.4)
2.5841424
Log P
2.5841424
Molar Refractivity
66.5373
Polarizability
23.729994
Polar Surface Area
66.13
Rotatable Bonds
3
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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