Molecule

ID:42458

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3
InChIKey
CMPRMWFPGYBHTQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C)N)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.82224935
LogD (pH = 7.4)
0.8464829
Log P
0.84680074
Molar Refractivity
57.3122
Polarizability
17.314638
Polar Surface Area
43.84
Rotatable Bonds
1
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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