Molecule

ID:53622

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c9-5-8(11)6-10-3-1-7(8)2-4-10/h7,11H,1-4,6H2
InChIKey
BEDKJKABPPDZNB-UHFFFAOYSA-N
Canonic Smiles
N#CC1(O)CN2CCC1CC2
Isomeric Smiles
C1(C#N)(CN2CCC1CC2)O
Calculated Properties
JChem
Acid pKa
11.661709
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3665724
LogD (pH = 7.4)
-0.42427674
Log P
-0.37884873
Molar Refractivity
41.3353
Polarizability
16.007475
Polar Surface Area
47.26
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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