Molecule

ID:127809

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O₃
Molecular Mass
254.28562
Exact Mass
254.13789046
Charge
0
InChI
InChI=1S/C11H18N4O3/c16-9-3-1-5-14(9)7-12-11(18)13-8-15-6-2-4-10(15)17/h1-8H2,(H2,12,13,18)
InChIKey
WMKONRFEZGAHTE-UHFFFAOYSA-N
Canonic Smiles
O=C(NCN1CCCC1=O)NCN1CCCC1=O
Isomeric Smiles
O=C(NCN1C(=O)CCC1)NCN1C(=O)CCC1
Calculated Properties
JChem
Acid pKa
14.349243
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7511963
LogD (pH = 7.4)
-1.7511963
Log P
-1.7511961
Molar Refractivity
62.9262
Polarizability
24.422407
Polar Surface Area
81.75
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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