Molecule

ID:57197

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-6(2)7(9)8-10-4-5-11(8)3/h4-7H,9H2,1-3H3
InChIKey
CMVDLQMORGEVAE-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1nccn1C)N)C
Isomeric Smiles
n1(c(ncc1)C(N)C(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9595338
LogD (pH = 7.4)
-0.38261443
Log P
0.7336462
Molar Refractivity
45.1994
Polarizability
17.79335
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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