Molecule

ID:35445

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃
Molecular Mass
167.25138
Exact Mass
167.14224756
Charge
0
InChI
InChI=1S/C9H17N3/c1-4-10-6-9-7-11-12(5-2)8(9)3/h7,10H,4-6H2,1-3H3
InChIKey
OHGSEVDQYHENGZ-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cnn(c1C)CC
Isomeric Smiles
n1n(c(c(c1)CNCC)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2389257
LogD (pH = 7.4)
-0.9158612
Log P
0.8726319
Molar Refractivity
62.8563
Polarizability
19.549768
Polar Surface Area
29.85
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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