Molecule

ID:74208

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c15-11-9(13-3-1-2-4-13)10(12(11)16)14-5-7-17-8-6-14/h1-8H2
InChIKey
INDCFFAROPASLT-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=O)C(=C1N1CCCC1)N1CCOCC1
Isomeric Smiles
N1(C2=C(N3CCOCC3)C(=O)C2=O)CCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.30813852
LogD (pH = 7.4)
0.30815288
Log P
0.30815306
Molar Refractivity
64.8643
Polarizability
23.573412
Polar Surface Area
49.85
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
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Molecule Details
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References
Bioactivity
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