Molecule

ID:3707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₃O₇P
Molecular Mass
377.330021
Exact Mass
377.13518675
Charge
0
InChI
InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6,12,16,18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1
InChIKey
FIXMYVJXXYQYGI-GFCCVEGCSA-N
Canonic Smiles
OC(=O)[C@@H](CCCCNCc1c(cnc(c1O)C)COP(=O)(O)O)N
Isomeric Smiles
Cc1ncc(COP(=O)(O)O)c(CNCCCC[C@@H](N)C(=O)O)c1O
Calculated Properties
JChem
Acid pKa
1.5763167
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-7.305078
LogD (pH = 7.4)
-8.018295
Log P
-7.2462254
Molar Refractivity
89.301
Polarizability
35.1788
Polar Surface Area
175.23
Rotatable Bonds
11
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-1.78
LOG S
-3.02
Solubility (Water)
3.59e-01 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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