Molecule

ID:89729

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c9-6-8-5-7-1-3-10-4-2-7/h7H,1-5H2
InChIKey
XCDQATXIFBTOMP-UHFFFAOYSA-N
Canonic Smiles
O=C=NCC1CCOCC1
Isomeric Smiles
O1CCC(CN=C=O)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.37916732
LogD (pH = 7.4)
0.37916732
Log P
0.37916732
Molar Refractivity
36.6317
Polarizability
14.11956
Polar Surface Area
38.66
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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