Molecule
ID:73344
General Information
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c9-3-1-2-6-11-7-4-10-5-8-11/h10H,1-2,4-8H2
InChIKey
YWKVYGFJHOLYRV-UHFFFAOYSA-N
Canonic Smiles
N#CCCCN1CCNCC1
Isomeric Smiles
N1CCN(CC1)CCCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4665155
LogD (pH = 7.4)
-2.133145
Log P
-0.28415278
Molar Refractivity
45.2618
Polarizability
17.63117
Polar Surface Area
39.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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