Molecule

ID:65503

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3,9H2
InChIKey
MJJRLQPCPOHTQY-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2CCCOc2nc1
Isomeric Smiles
c1(cnc2c(c1)CCCO2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.83826053
LogD (pH = 7.4)
0.8477682
Log P
0.84789085
Molar Refractivity
43.2888
Polarizability
15.971097
Polar Surface Area
48.14
Rotatable Bonds
0
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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