Molecule

ID:48239

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₃
Molecular Mass
250.29362
Exact Mass
250.13174245
Charge
0
InChI
InChI=1S/C13H18N2O3/c1-2-18-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8,14H2,1H3
InChIKey
BFHAMNGFRPDRGR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.393667
LogD (pH = 7.4)
1.3941422
Log P
1.3941482
Molar Refractivity
71.0354
Polarizability
26.21593
Polar Surface Area
64.79
Rotatable Bonds
4
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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