Molecule

ID:84808

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKey
PNZXMIKHJXIPEK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCCCC1
Isomeric Smiles
O=C(C1CCCCC1)N
Calculated Properties
JChem
Acid pKa
16.781935
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.083213
LogD (pH = 7.4)
1.0832139
Log P
1.0832139
Molar Refractivity
35.6681
Polarizability
14.103091
Polar Surface Area
43.09
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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