Molecule

ID:50922

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7(9)6-2-3-6/h4-7H,2-3,9H2,1H3
InChIKey
UQAHJVSDSGXTPI-UHFFFAOYSA-N
Canonic Smiles
NC(c1nccn1C)C1CC1
Isomeric Smiles
c1(n(ccn1)C)C(C1CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4137466
LogD (pH = 7.4)
-0.83148116
Log P
0.26992032
Molar Refractivity
43.3972
Polarizability
17.062237
Polar Surface Area
43.84
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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