Molecule

ID:54676

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
InChIKey
TZWRXFPFRACRLO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCNCC1
Isomeric Smiles
Nc1c(cccc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3146691
LogD (pH = 7.4)
-0.7952311
Log P
0.7164354
Molar Refractivity
55.9424
Polarizability
20.781706
Polar Surface Area
41.29
Rotatable Bonds
1
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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