Molecule

ID:17804

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃
Molecular Mass
189.2569
Exact Mass
189.1265975
Charge
0
InChI
InChI=1S/C11H15N3/c1-3-4-11-13-9-7-8(12)5-6-10(9)14(11)2/h5-7H,3-4,12H2,1-2H3
InChIKey
UKNTUNFBRCJCNV-UHFFFAOYSA-N
Canonic Smiles
CCCc1nc2c(n1C)ccc(c2)N
Isomeric Smiles
c12c(n(c(n1)CCC)C)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.58192205
LogD (pH = 7.4)
1.563553
Log P
1.9224234
Molar Refractivity
58.2342
Polarizability
23.021246
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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