Molecule

ID:80320

General Information
Structure
Molecular Formula
C₈H₁₃NO
Molecular Mass
139.19492
Exact Mass
139.09971404
Charge
0
InChI
InChI=1S/C8H13NO/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2,(H2,9,10)
InChIKey
RPJTXFAFHGMXLE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C12CCC(C2)CC1
Isomeric Smiles
O=C(C12CC(CC1)CC2)N
Calculated Properties
JChem
Acid pKa
16.537735
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0179516
LogD (pH = 7.4)
1.0179527
Log P
1.0179527
Molar Refractivity
38.3145
Polarizability
15.217685
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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