Molecule

ID:14129

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c11-10(5-13)6-14-9(15-7-10)8-2-1-3-12-4-8/h1-4,9,13H,5-7,11H2
InChIKey
YDFFIYRXDIMPDL-UHFFFAOYSA-N
Canonic Smiles
OCC1(N)COC(OC1)c1cccnc1
Isomeric Smiles
C1(c2cccnc2)OCC(CO1)(CO)N
Calculated Properties
JChem
Acid pKa
14.640296
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.620482
LogD (pH = 7.4)
-2.105745
Log P
-0.7648223
Molar Refractivity
53.0822
Polarizability
21.459091
Polar Surface Area
77.6
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
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Molecule Details
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References
Bioactivity
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