Molecule

ID:48431

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-8,11H2
InChIKey
WPWYMVOGKUNWOO-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(CN)cccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4939806
LogD (pH = 7.4)
-0.9805575
Log P
0.36534277
Molar Refractivity
56.1911
Polarizability
21.26103
Polar Surface Area
51.38
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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