Molecule

ID:35632

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₂
Molecular Mass
223.27158
Exact Mass
223.1320768
Charge
0
InChI
InChI=1S/C11H17N3O2/c12-13-11(15)10-5-4-9(16-10)8-14-6-2-1-3-7-14/h4-5H,1-3,6-8,12H2,(H,13,15)
InChIKey
LOYHPTLRLLWTII-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)CN1CCCCC1
Isomeric Smiles
c1(C(=O)NN)oc(cc1)CN1CCCCC1
Calculated Properties
JChem
Acid pKa
11.936073
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9455259
LogD (pH = 7.4)
-0.22229224
Log P
0.29942107
Molar Refractivity
62.5736
Polarizability
23.321815
Polar Surface Area
71.5
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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