Molecule

ID:123928

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃
Molecular Mass
167.25138
Exact Mass
167.14224756
Charge
0
InChI
InChI=1S/C9H17N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-3,5-9H2,1H3
InChIKey
KFHQJFCEGVTMSZ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCCC#N
Isomeric Smiles
N#CCCCN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.689225
LogD (pH = 7.4)
-0.9230871
Log P
0.09889516
Molar Refractivity
50.5565
Polarizability
19.47456
Polar Surface Area
30.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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