Molecule
ID:40139
General Information
Molecular Formula
C₁₅H₁₂N₂
Molecular Mass
220.26918
Exact Mass
220.10004839
Charge
0
InChI
InChI=1S/C15H12N2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKey
DSMVTVVOTMNIHE-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)c1n[nH]cc1
Isomeric Smiles
n1c(cc[nH]1)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.823915
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9575546
LogD (pH = 7.4)
3.9577286
Log P
3.9577308
Molar Refractivity
69.6458
Polarizability
29.286207
Polar Surface Area
28.68
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
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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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