Molecule

ID:30939

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-11-6-7(5-10-11)4-9-8-2-3-8/h5-6,8-9H,2-4H2,1H3
InChIKey
TXOZZTPJCYYMEI-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)CNC1CC1
Isomeric Smiles
n1n(cc(c1)CNC1CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5589497
LogD (pH = 7.4)
-1.0162798
Log P
0.42501923
Molar Refractivity
55.4206
Polarizability
17.054916
Polar Surface Area
29.85
Rotatable Bonds
3
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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