Molecule

ID:73173

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₄O₄
Molecular Mass
328.40722
Exact Mass
328.2110554
Charge
0
InChI
InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
InChIKey
XRQDFNLINLXZLB-CKIKVBCHSA-N
Canonic Smiles
CCC([C@@H]([C@H]1[C@H](NC(=N)N)C[C@@H]([C@H]1O)C(=O)O)NC(=O)C)CC
Isomeric Smiles
[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)(C(CC)CC)NC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.12
LogD (pH = 5.5)
-2.13
Log P
-2.12
Rotatable Bonds
7
H Donor
6
H Acceptors
7
Lipinski's Rule of Five
false
Acid pKa
12.46
Polar Surface Area
148.53
Polarizability
34.95
Molar Refractivity
94.46
LOG S
-2.66
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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