Molecule

ID:57435

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKey
HQBNRQCHZMQTON-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnn1CC1CCCCC1
Isomeric Smiles
n1(c(ccn1)N)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7720187
LogD (pH = 7.4)
1.775707
Log P
1.7757542
Molar Refractivity
64.6601
Polarizability
20.350018
Polar Surface Area
43.84
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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