Molecule

ID:31948

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12/h3-7H,12H2,1-2H3
InChIKey
WPGFYAUWKUKJFK-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)C)c1ccccc1N
Isomeric Smiles
n1(nc(cc1C)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5347326
LogD (pH = 7.4)
1.5607282
Log P
1.5610698
Molar Refractivity
58.8613
Polarizability
22.089298
Polar Surface Area
43.84
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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