Molecule

ID:27211

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-7(10(13)12-11)15-9-6-4-3-5-8(9)14-2/h3-7H,11H2,1-2H3,(H,12,13)
InChIKey
BVYINVRWOSTVLG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccccc1OC)C
Isomeric Smiles
C(=O)(C(Oc1c(OC)cccc1)C)NN
Calculated Properties
JChem
Acid pKa
12.013486
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.59983474
LogD (pH = 7.4)
0.6012053
Log P
0.6012325
Molar Refractivity
55.8692
Polarizability
21.70415
Polar Surface Area
73.58
Rotatable Bonds
4
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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