Molecule

ID:86160

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3
InChIKey
NFDGRMQIOHRQHF-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(C#N)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.45187676
LogD (pH = 7.4)
-0.4518767
Log P
-0.45187667
Molar Refractivity
41.6205
Polarizability
15.804878
Polar Surface Area
44.1
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
References
Bioactivity
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