Molecule

ID:42517

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO
Molecular Mass
139.19492
Exact Mass
139.09971404
Charge
0
InChI
InChI=1S/C8H13NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKey
JONWDDCKNVVMBS-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)CCCC2
Isomeric Smiles
N1C(=O)CC2(C1)CCCC2
Calculated Properties
JChem
Acid pKa
14.848903
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.58877575
LogD (pH = 7.4)
0.5887758
Log P
0.5887758
Molar Refractivity
38.5274
Polarizability
15.217685
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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