Molecule

ID:110094

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
InChIKey
KAEZRSFWWCTVNP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-]
Isomeric Smiles
COc1ccc(cc1)/N=[N+](\[O-])/c1ccc(OC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5948
LogD (pH = 7.4)
2.5948
Log P
2.5948
Molar Refractivity
74.0505
Polarizability
27.07455
Polar Surface Area
59.57
Rotatable Bonds
4
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
References
Bioactivity
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