Molecule
ID:115685
General Information
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)16-15/h2-10,16H,1H3
InChIKey
VPXGIHGJJJBJFP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc2c([nH]1)cccc2
Isomeric Smiles
c1([nH]c2c(c1)cccc2)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.142875
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.1526556
LogD (pH = 7.4)
4.1526556
Log P
4.1526556
Molar Refractivity
67.1994
Polarizability
28.554739
Polar Surface Area
15.79
Rotatable Bonds
1
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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