Molecule

ID:48427

General Information
Structure
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2
InChIKey
VMMFMWFKCCKFII-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(CN)cccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8744982
LogD (pH = 7.4)
-0.35817918
Log P
0.98964065
Molar Refractivity
54.6576
Polarizability
20.5748
Polar Surface Area
42.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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