Molecule

ID:57223

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-7(9-2)5-8-6-10-3-4-11-8/h3-4,6-7,9H,5H2,1-2H3
InChIKey
ITYOKRJDUQGDII-UHFFFAOYSA-N
Canonic Smiles
CC(NC)Cc1cnccn1
Isomeric Smiles
c1cnc(cn1)CC(C)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3658612
LogD (pH = 7.4)
-2.4284475
Log P
-0.16869056
Molar Refractivity
43.5882
Polarizability
17.350214
Polar Surface Area
37.81
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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