Molecule

ID:16935

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKey
FDRQQRWVLQQGBK-UHFFFAOYSA-N
Canonic Smiles
NCCc1onc(n1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)nc(on1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4456501
LogD (pH = 7.4)
-0.12748407
Log P
1.6382664
Molar Refractivity
64.585
Polarizability
20.841667
Polar Surface Area
64.94
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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