Molecule

ID:8333

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChIKey
RNZDBGKQDKFAPR-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1c(ccc(c1)CC#N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.382932
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.760737
LogD (pH = 7.4)
3.760737
Log P
3.760737
Molar Refractivity
66.0821
Polarizability
25.271828
Polar Surface Area
23.79
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
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