Molecule

ID:24388

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,5,7H2
InChIKey
HGGLROFYOVWSRZ-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCc1ccco1
Isomeric Smiles
N#CCCNCc1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37746042
LogD (pH = 7.4)
0.34067062
Log P
0.3647862
Molar Refractivity
41.4602
Polarizability
15.926881
Polar Surface Area
48.96
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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