Molecule

ID:38708

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₄O₄
Molecular Mass
246.26362
Exact Mass
246.13280508
Charge
0
InChI
InChI=1S/C9H18N4O4/c1-9(2,3)17-8(16)13-5(6(14)15)4-12-7(10)11/h5H,4H2,1-3H3,(H,13,16)(H,14,15)(H4,10,11,12)/t5-/m0/s1
InChIKey
XRIRURZCBWQXQP-YFKPBYRVSA-N
Canonic Smiles
NC(=N)NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=N)(NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
3.7505069
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.2254572
LogD (pH = 7.4)
-2.2191916
Log P
-2.219155
Molar Refractivity
69.2861
Polarizability
22.906668
Polar Surface Area
137.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation