Molecule

ID:114310

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10)
InChIKey
ZNWRDDRXQOKOLM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ncnc(c1)O)C
Isomeric Smiles
c1c(ncnc1O)C(C)C
Calculated Properties
JChem
Acid pKa
12.435518
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7155097
LogD (pH = 7.4)
1.7155159
Log P
1.7155199
Molar Refractivity
38.8096
Polarizability
14.595934
Polar Surface Area
46.01
Rotatable Bonds
1
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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