Molecule

ID:110290

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3
InChIKey
NUMYETXZBQVFDX-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ncccc1O)C
Isomeric Smiles
CN(C)Cc1ncccc1O
Calculated Properties
JChem
Acid pKa
8.058341
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6780095
LogD (pH = 7.4)
-0.07956322
Log P
-0.013794155
Molar Refractivity
43.9025
Polarizability
17.08065
Polar Surface Area
36.36
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
No Data Available
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Molecule Details
References
Bioactivity
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