Molecule

ID:89942

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-3,5-6H2
InChIKey
IOWDVKYQRLPOLY-UHFFFAOYSA-N
Canonic Smiles
N#CCC1CCOCC1
Isomeric Smiles
O1CCC(CC1)CC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44421044
LogD (pH = 7.4)
0.44421044
Log P
0.44421044
Molar Refractivity
34.9488
Polarizability
13.433679
Polar Surface Area
33.02
Rotatable Bonds
1
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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