Molecule

ID:108612

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3
InChIKey
DLJMSHXCPBXOKX-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C=C)CCCC
Isomeric Smiles
CCCCN(CCCC)C(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8209121
LogD (pH = 7.4)
2.8211517
Log P
2.8211548
Molar Refractivity
56.6542
Polarizability
21.963903
Polar Surface Area
20.31
Rotatable Bonds
7
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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