Molecule

ID:33467

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄O₂
Molecular Mass
274.31832
Exact Mass
274.14297584
Charge
0
InChI
InChI=1S/C14H18N4O2/c1-9(2)7-16-8-12-17-14(18-20-12)11-5-3-4-10(6-11)13(15)19/h3-6,9,16H,7-8H2,1-2H3,(H2,15,19)
InChIKey
BEGGUENPBBWWAK-UHFFFAOYSA-N
Canonic Smiles
CC(CNCc1onc(n1)c1cccc(c1)C(=O)N)C
Isomeric Smiles
n1c(noc1CNCC(C)C)c1cc(C(=O)N)ccc1
Calculated Properties
JChem
Acid pKa
14.254695
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.44718337
LogD (pH = 7.4)
1.2789527
Log P
1.8409534
Molar Refractivity
87.4828
Polarizability
29.284185
Polar Surface Area
94.04
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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