Molecule

ID:2780

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₅
Molecular Mass
300.35076
Exact Mass
300.16852188
Charge
0
InChI
InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3
InChIKey
ZUVPNXOKAPTNLU-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O
Isomeric Smiles
CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N
Calculated Properties
JChem
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.2794568
LogD (pH = 7.4)
-0.27945665
Log P
-0.27945665
Molar Refractivity
80.1533
Polarizability
30.126047
Polar Surface Area
99.88
Rotatable Bonds
13
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.79
LOG S
-2.63
Solubility (Water)
7.10e-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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