Molecule

ID:33824

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N₃
Molecular Mass
149.19304
Exact Mass
149.09529737
Charge
0
InChI
InChI=1S/C8H11N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-3,6H2,1H3
InChIKey
QISPCYXLKLRPAE-UHFFFAOYSA-N
Canonic Smiles
CCc1nccn1CCC#N
Isomeric Smiles
n1(c(ncc1)CC)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.31831118
LogD (pH = 7.4)
0.47939804
Log P
0.6749973
Molar Refractivity
42.7404
Polarizability
16.113317
Polar Surface Area
41.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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