Molecule

ID:123884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2,4-8H2,1H3
InChIKey
XMZMOGFGIJQCHN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCC#N
Isomeric Smiles
N#CCCN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.6909168
LogD (pH = 7.4)
-0.9232106
Log P
-0.18976605
Molar Refractivity
45.8015
Polarizability
17.63117
Polar Surface Area
30.27
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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