Molecule

ID:37929

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-3-8(9-4-1)7-11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2
InChIKey
NROSSDZFPHQESU-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)Cn1cccn1
Isomeric Smiles
n1(nccc1)CC1NCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.735608
LogD (pH = 7.4)
-2.4902408
Log P
0.502267
Molar Refractivity
54.897
Polarizability
17.058844
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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