Molecule

ID:52870

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-4(5)2-6-3-4/h2-3,5H2,1H3
InChIKey
NQVWMPOQWBDSAI-UHFFFAOYSA-N
Canonic Smiles
CC1(N)COC1
Isomeric Smiles
C1OCC1(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4042735
LogD (pH = 7.4)
-2.0801952
Log P
-0.50361556
Molar Refractivity
23.3017
Polarizability
9.589044
Polar Surface Area
35.25
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
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Molecule Details
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References
Bioactivity
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