Molecule

ID:16844

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c15-12-6-7-14-13(8-12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9,15H2
InChIKey
FCQCJIKCEPOTMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ncn2Cc1ccccc1
Isomeric Smiles
n1(cnc2c1ccc(c2)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5112219
LogD (pH = 7.4)
2.2312164
Log P
2.3787272
Molar Refractivity
69.1782
Polarizability
27.205345
Polar Surface Area
43.84
Rotatable Bonds
2
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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