Molecule

ID:77113

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
InChIKey
DLLIPJSMDJCZRF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
N#Cc1ccc(cc1)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4345574
LogD (pH = 7.4)
4.4345574
Log P
4.4345574
Molar Refractivity
66.558
Polarizability
26.874493
Polar Surface Area
23.79
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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