Molecule

ID:119708

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₄O₃
Molecular Mass
284.35466
Exact Mass
284.18484065
Charge
0
InChI
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKey
NOOJLZTTWSNHOX-UWVGGRQHSA-N
Canonic Smiles
CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NCC(=O)N)CC(C)C)[C@H]1NCCC1
Calculated Properties
JChem
Acid pKa
12.461859
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.4648213
LogD (pH = 7.4)
-3.3704116
Log P
-1.2917761
Molar Refractivity
73.661
Polarizability
29.154572
Polar Surface Area
113.32
Rotatable Bonds
7
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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