Molecule

ID:36926

General Information
Structure
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2
InChIKey
ANLQHFYDQPMDJY-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)N1CCCCC1
Isomeric Smiles
C(=O)(CC#N)N1CCCCC1
Calculated Properties
JChem
Acid pKa
8.441917
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.21711157
LogD (pH = 7.4)
0.17990026
Log P
0.21760724
Molar Refractivity
41.7247
Polarizability
15.804878
Polar Surface Area
44.1
Rotatable Bonds
1
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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