Molecule

ID:40830

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₄
Molecular Mass
250.29846
Exact Mass
250.12184647
Charge
0
InChI
InChI=1S/C15H14N4/c16-19-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,18,19)
InChIKey
VVXTVQMXZGMAAH-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2ccccc2nc1Cc1ccccc1
Isomeric Smiles
c1(nc2c(nc1Cc1ccccc1)cccc2)NN
Calculated Properties
JChem
Acid pKa
18.757938
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2096255
LogD (pH = 7.4)
3.2503438
Log P
3.2508886
Molar Refractivity
76.784
Polarizability
30.032528
Polar Surface Area
63.83
Rotatable Bonds
3
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
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References
Bioactivity
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