Molecule

ID:23734

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₂
Molecular Mass
277.36202
Exact Mass
277.17902699
Charge
0
InChI
InChI=1S/C15H23N3O2/c1-14(2,3)12(19)17-10-8-7-9-11(16-10)18-13(20)15(4,5)6/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKey
VPAGSMLGPQXYME-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1cccc(n1)NC(=O)C(C)(C)C
Isomeric Smiles
c1c(nc(cc1)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.622588
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.017774
LogD (pH = 7.4)
4.018942
Log P
4.018982
Molar Refractivity
81.6589
Polarizability
30.247404
Polar Surface Area
71.09
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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