Molecule

ID:34771

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey
AGAHETWGCFCMDK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)N
Isomeric Smiles
c1(cc(ccc1N)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.052331187
LogD (pH = 7.4)
0.15622127
Log P
0.15772264
Molar Refractivity
41.922
Polarizability
15.124485
Polar Surface Area
61.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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