Molecule

ID:15136

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N₃
Molecular Mass
203.28348
Exact Mass
203.14224756
Charge
0
InChI
InChI=1S/C12H17N3/c1-15-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13/h2-3,6-7H,4-5,8-9,13H2,1H3
InChIKey
AEYIOAIKPNBNDG-UHFFFAOYSA-N
Canonic Smiles
NCCCCc1nc2c(n1C)cccc2
Isomeric Smiles
c12c(n(c(n1)CCCCN)C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.972461
LogD (pH = 7.4)
-0.96966547
Log P
1.6523576
Molar Refractivity
61.721
Polarizability
25.28167
Polar Surface Area
43.84
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
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Molecule Details
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References
Bioactivity
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