Molecule

ID:111967

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2
InChIKey
VYONOYYDEFODAJ-UHFFFAOYSA-N
Canonic Smiles
OCCN1CC1
Isomeric Smiles
OCCN1CC1
Calculated Properties
JChem
Acid pKa
15.593098
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4803605
LogD (pH = 7.4)
-0.7002747
Log P
-0.67145747
Molar Refractivity
24.3114
Polarizability
9.517664
Polar Surface Area
23.24
Rotatable Bonds
2
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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