Molecule

ID:14038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O₂
Molecular Mass
238.28622
Exact Mass
238.14297584
Charge
0
InChI
InChI=1S/C11H18N4O2/c1-8-11(15-17-14-8)13-10(16)7-12-9-5-3-2-4-6-9/h9,12H,2-7H2,1H3,(H,13,15,16)
InChIKey
CDAPKZYLEQQIKU-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1nonc1C)CNC1CCCCC1
Isomeric Smiles
c1(c(non1)C)NC(=O)CNC1CCCCC1
Calculated Properties
JChem
Acid pKa
10.547277
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0736873
LogD (pH = 7.4)
-0.46122497
Log P
0.70014346
Molar Refractivity
65.3451
Polarizability
23.991816
Polar Surface Area
80.05
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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