Molecule

ID:53624

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3
InChIKey
QYGNDKJRRNVSEC-UHFFFAOYSA-N
Canonic Smiles
COC1=NCCC1
Isomeric Smiles
N1=C(OC)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.18375827
LogD (pH = 7.4)
0.35022742
Log P
0.3528222
Molar Refractivity
27.5308
Polarizability
10.63469
Polar Surface Area
21.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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