Molecule

ID:35421

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃
Molecular Mass
167.25138
Exact Mass
167.14224756
Charge
0
InChI
InChI=1S/C9H17N3/c1-4-5-12-9(7-10-3)6-8(2)11-12/h6,10H,4-5,7H2,1-3H3
InChIKey
CZZZETWSDLXGKA-UHFFFAOYSA-N
Canonic Smiles
CCCn1nc(cc1CNC)C
Isomeric Smiles
n1(nc(cc1CNC)C)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9965128
LogD (pH = 7.4)
-0.36841285
Log P
0.8901563
Molar Refractivity
61.951
Polarizability
19.54894
Polar Surface Area
29.85
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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