Molecule

ID:27636

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₂
Molecular Mass
127.14116
Exact Mass
127.06332853
Charge
0
InChI
InChI=1S/C6H9NO2/c8-5-7-4-6-2-1-3-9-6/h6H,1-4H2
InChIKey
PCPJIDFJVZWDOX-UHFFFAOYSA-N
Canonic Smiles
O=C=NCC1CCCO1
Isomeric Smiles
C(=NCC1OCCC1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3759695
LogD (pH = 7.4)
0.3759695
Log P
0.3759695
Molar Refractivity
31.5929
Polarizability
12.294403
Polar Surface Area
38.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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