Molecule

ID:81532

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₃
Molecular Mass
279.33484
Exact Mass
279.15829155
Charge
0
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11(12(18)17-15)9-10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
GHSCWLGHLYTNJH-LLVKDONJSA-N
Canonic Smiles
NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
N([C@H](Cc1ccccc1)C(=O)NN)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.642491
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.465361
LogD (pH = 7.4)
1.4662801
Log P
1.4662942
Molar Refractivity
76.2956
Polarizability
29.61007
Polar Surface Area
93.45
Rotatable Bonds
6
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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