Molecule

ID:89546

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKey
NZMAJUHVSZBJHL-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C=O)CCCC
Isomeric Smiles
N(C=O)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0161629
LogD (pH = 7.4)
2.016163
Log P
2.016163
Molar Refractivity
47.516
Polarizability
18.514233
Polar Surface Area
20.31
Rotatable Bonds
6
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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