Molecule

ID:115419

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-2-15-10-4-3-9(12-13-10)14-7-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3
InChIKey
VTOQXFBDIMCWPQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(nn1)N1CCNCC1
Isomeric Smiles
n1c(N2CCNCC2)ccc(n1)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2116106
LogD (pH = 7.4)
-0.63199085
Log P
0.7359707
Molar Refractivity
60.7872
Polarizability
22.218441
Polar Surface Area
50.28
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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