Molecule

ID:54453

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₄
Molecular Mass
335.3981
Exact Mass
335.1845063
Charge
0
InChI
InChI=1S/C17H25N3O4/c1-16(2,3)14(21)20-9-10-23-13-11(20)7-8-12(18-13)19-15(22)24-17(4,5)6/h7-8H,9-10H2,1-6H3,(H,18,19,22)
InChIKey
ZOAOFCDWBPMAMN-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1ccc2c(n1)OCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.873814
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.4275587
LogD (pH = 7.4)
3.4275649
Log P
3.4275663
Molar Refractivity
90.9958
Polarizability
34.613155
Polar Surface Area
80.76
Rotatable Bonds
4
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
References
Bioactivity
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