Molecule

ID:18635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKey
YIVVBOYHOANILT-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1ccccn1
Isomeric Smiles
N1(c2ncccc2)CCCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2616808
LogD (pH = 7.4)
-1.1813006
Log P
0.98210615
Molar Refractivity
54.264
Polarizability
20.579075
Polar Surface Area
28.16
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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