Molecule

ID:28478

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c15-9(16)8-13-4-6-14(7-5-13)10-11-2-1-3-12-10/h1-3H,4-8H2,(H,15,16)
InChIKey
JZZFCZQYRLBPPQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCN(CC1)c1ncccn1
Isomeric Smiles
c1(N2CCN(CC(=O)O)CC2)ncccn1
Calculated Properties
JChem
Acid pKa
0.51651216
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-2.5619917
LogD (pH = 7.4)
-2.6342006
Log P
-2.5621626
Molar Refractivity
59.2316
Polarizability
22.090569
Polar Surface Area
69.56
Rotatable Bonds
3
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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