Molecule
ID:107617
General Information
Molecular Formula
C₁₅H₁₁N₃
Molecular Mass
233.26794
Exact Mass
233.09529737
Charge
0
InChI
InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-15(18-17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKey
YPDRKSCNHYYJCO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nncnc1c1ccccc1
Isomeric Smiles
c1ccc(cc1)c1c(nncn1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1361163
LogD (pH = 7.4)
3.136117
Log P
3.136117
Molar Refractivity
72.114
Polarizability
29.749224
Polar Surface Area
38.67
Rotatable Bonds
2
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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