Molecule
ID:57440
General Information
Molecular Formula
C₂₀H₁₃N₃
Molecular Mass
295.33732
Exact Mass
295.11094743
Charge
0
InChI
InChI=1S/C20H13N3/c21-12-9-10-17-18(11-12)23-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(20)22-17/h1-11H,21H2
InChIKey
ZOOUFTURZKDEQL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc1c(n2)c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c1ccccc1c1c2nc2c(n1)ccc(c2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.209133
LogD (pH = 7.4)
4.210269
Log P
4.2102833
Molar Refractivity
90.7574
Polarizability
40.200737
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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