Molecule

ID:2307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₄O₇
Molecular Mass
374.38954
Exact Mass
374.18014919
Charge
0
InChI
InChI=1S/C15H26N4O7/c1-8(13(22)18-9(2)14(23)24)17-11(20)6-4-3-5-10(15(25)26)19-12(21)7-16/h8-10H,3-7,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t8-,9-,10-/m1/s1
InChIKey
RALBRZJHHGWNNU-OPRDCNLKSA-N
Canonic Smiles
[NH3+]CC(=O)N[C@@H](C(=O)[O-])CCCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C
Isomeric Smiles
C[C@@H](NC(=O)[C@@H](C)NC(=O)CCCC[C@@H](NC(=O)C[NH3+])C(=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
3.2002716
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-6.18328
LogD (pH = 7.4)
-7.8129334
Log P
-4.907999
Molar Refractivity
110.0179
Polarizability
34.651146
Polar Surface Area
192.37
Rotatable Bonds
12
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.63
LOG S
-2.51
Solubility (Water)
1.33e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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