Molecule

ID:81883

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
InChIKey
ZWXPDGCFMMFNRW-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCCC1=O
Isomeric Smiles
N1(C(=O)CCCCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.533204
LogD (pH = 7.4)
0.5332041
Log P
0.5332041
Molar Refractivity
36.3566
Polarizability
14.103091
Polar Surface Area
20.31
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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