Molecule

ID:25049

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-4-11-5-2-10(1)3-7-13-8-6-12-9-13/h6,8-11H,1-5,7H2
InChIKey
PPIJGGILSYOSSI-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCn1cncc1
Isomeric Smiles
n1cn(cc1)CCC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2150283
LogD (pH = 7.4)
-2.2944956
Log P
0.5494257
Molar Refractivity
53.5619
Polarizability
20.751013
Polar Surface Area
29.85
Rotatable Bonds
3
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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