Molecule

ID:77100

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKey
YNAVUWVOSKDBBP-UHFFFAOYSA-N
Canonic Smiles
C1CNCCO1
Isomeric Smiles
N1CCOCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.55
LogD (pH = 5.5)
-3.22
Log P
-0.41
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.51
Polar Surface Area
21.26
Polarizability
9.47
Molar Refractivity
23.77
LOG S
0.58
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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