Molecule

ID:117022

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO
Molecular Mass
139.19492
Exact Mass
139.09971404
Charge
0
InChI
InChI=1S/C8H13NO/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
JCNLHDHXQVZQAM-UHFFFAOYSA-N
Canonic Smiles
O=C=NC1CCCCCC1
Isomeric Smiles
C(=NC1CCCCCC1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2012196
LogD (pH = 7.4)
2.2012196
Log P
2.2012196
Molar Refractivity
38.9534
Polarizability
15.230217
Polar Surface Area
29.43
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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