Molecule

ID:69170

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-5-3-4-9-7(10-2)6(5)8/h3-4H,8H2,1-2H3
InChIKey
IEJSXJLVJOGKMB-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1N)C
Isomeric Smiles
c1(c(c(ccn1)C)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8557389
LogD (pH = 7.4)
0.8765823
Log P
0.8768551
Molar Refractivity
40.4194
Polarizability
14.85704
Polar Surface Area
48.14
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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