Molecule

ID:76900

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-2-10-7-3-6(8)4-9-5-7/h3-5H,2,8H2,1H3
InChIKey
ZIGPHZOGECKLGO-UHFFFAOYSA-N
Canonic Smiles
CCOc1cncc(c1)N
Isomeric Smiles
n1cc(cc(c1)OCC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.067459315
LogD (pH = 7.4)
0.12252332
Log P
0.12578413
Molar Refractivity
39.8133
Polarizability
14.930302
Polar Surface Area
48.14
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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