Molecule

ID:44919

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c8-6-2-1-3-9-7(6)11-5-4-10/h1-3,10H,4-5,8H2
InChIKey
TWSIYWGFCIUFEO-UHFFFAOYSA-N
Canonic Smiles
OCCOc1ncccc1N
Isomeric Smiles
c1cnc(c(c1)N)OCCO
Calculated Properties
JChem
Acid pKa
15.098894
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.3293984
LogD (pH = 7.4)
-0.3267028
Log P
-0.32666832
Molar Refractivity
41.6705
Polarizability
15.580181
Polar Surface Area
68.37
Rotatable Bonds
3
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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