Molecule

ID:53619

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO
Molecular Mass
197.31712
Exact Mass
197.17796436
Charge
0
InChI
InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
InChIKey
JHWNWJKBPDFINM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCCCCCCCN1
Isomeric Smiles
C1CCCCCCCCNC(=O)CC1
Calculated Properties
JChem
Acid pKa
15.279201
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9769385
LogD (pH = 7.4)
2.97694
Log P
2.97694
Molar Refractivity
59.0659
Polarizability
23.312815
Polar Surface Area
29.1
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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