Molecule

ID:61774

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKey
KTHZBRAXOLUNBN-UHFFFAOYSA-N
Canonic Smiles
NCC1COC1
Isomeric Smiles
C(N)C1COC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.8112361
LogD (pH = 7.4)
-3.3139381
Log P
-0.7901735
Molar Refractivity
23.5507
Polarizability
9.589044
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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