Molecule

ID:63165

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₃
Molecular Mass
250.29362
Exact Mass
250.13174245
Charge
0
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)14-6-7-15-10(8-14)4-5-11(15)9-16/h4-5,9H,6-8H2,1-3H3
InChIKey
LDGNAVIMUAPFKH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2n1CCN(C2)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(C(=O)OC(C)(C)C)Cc2n1c(C=O)cc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4993275
LogD (pH = 7.4)
1.4993275
Log P
1.4993275
Molar Refractivity
68.3266
Polarizability
25.86361
Polar Surface Area
51.54
Rotatable Bonds
3
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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