Molecule

ID:10224

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃
Molecular Mass
185.22514
Exact Mass
185.09529737
Charge
0
InChI
InChI=1S/C11H11N3/c1-2-8-6-9-7-12-5-3-10(9)14-11(8)13-4-1/h1-2,4,6,12H,3,5,7H2
InChIKey
GJMMWESLLMXXPS-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)nc1c(c2)cccn1
Isomeric Smiles
c1cnc2c(c1)cc1c(n2)CCNC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.148585
LogD (pH = 7.4)
-0.64378023
Log P
0.8662934
Molar Refractivity
55.375
Polarizability
21.633839
Polar Surface Area
37.81
Rotatable Bonds
0
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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