Molecule

ID:80671

General Information
Structure
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c11-13-10(15)8-1-2-9(12-7-8)14-3-5-16-6-4-14/h1-2,7H,3-6,11H2,(H,13,15)
InChIKey
POOWVLHXEUFOEL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(nc1)N1CCOCC1
Isomeric Smiles
n1c(ccc(c1)C(=O)NN)N1CCOCC1
Calculated Properties
JChem
Acid pKa
14.04355
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.21026789
LogD (pH = 7.4)
-0.20631178
Log P
-0.20626107
Molar Refractivity
61.2802
Polarizability
22.205801
Polar Surface Area
80.48
Rotatable Bonds
2
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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