Molecule

ID:115985

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c1-3-10-4-2-9(1)7-12-6-5-11-8-12/h5-6,8-10H,1-4,7H2
InChIKey
ZPCQDEWEJQHOJX-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cn1cncc1
Isomeric Smiles
n1cn(cc1)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5812907
LogD (pH = 7.4)
-2.6577072
Log P
0.1828108
Molar Refractivity
48.8839
Polarizability
18.907558
Polar Surface Area
29.85
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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