Molecule

ID:123301

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey
HNHVTXYLRVGMHD-UHFFFAOYSA-N
Canonic Smiles
CCCCN=C=O
Isomeric Smiles
C(=NCCCC)=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.28
LogD (pH = 5.5)
1.28
Log P
1.28
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.06
Polar Surface Area
29.43
Polarizability
11.09
Molar Refractivity
27.21
LOG S
-1.14
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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