Molecule

ID:35910

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c1-2-15-11(14)10-5-3-9(4-6-10)7-12-8-13/h9-10H,2-7H2,1H3
InChIKey
BHCYPUQBNPFVFK-UHFFFAOYSA-N
Canonic Smiles
O=C=NCC1CCC(CC1)C(=O)OCC
Isomeric Smiles
C(=NCC1CCC(C(=O)OCC)CC1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7971103
LogD (pH = 7.4)
1.7971103
Log P
1.7971103
Molar Refractivity
54.8408
Polarizability
21.56121
Polar Surface Area
55.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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