Molecule

ID:114527

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c15-10-2-1-3-12-14(10)9-8-13-6-4-11-5-7-13/h1-3,11H,4-9H2
InChIKey
ZQUHATANABEQCH-UHFFFAOYSA-N
Canonic Smiles
O=c1cccnn1CCN1CCNCC1
Isomeric Smiles
n1(c(=O)cccn1)CCN1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.9765897
LogD (pH = 7.4)
-2.659904
Log P
-0.8465805
Molar Refractivity
59.6321
Polarizability
22.443022
Polar Surface Area
47.94
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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