Molecule

ID:34816

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃
Molecular Mass
189.2569
Exact Mass
189.1265975
Charge
0
InChI
InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKey
BPFMGSARUNSBFM-UHFFFAOYSA-N
Canonic Smiles
CCCCn1c(N)nc2c1cccc2
Isomeric Smiles
c1(nc2c(n1CCCC)cccc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2711012
LogD (pH = 7.4)
2.0675366
Log P
2.662403
Molar Refractivity
57.9125
Polarizability
23.1049
Polar Surface Area
43.84
Rotatable Bonds
3
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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