Molecule

ID:7996

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
InChIKey
WKHABRRJMGVELW-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1cc(ccc1)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2376818
LogD (pH = 7.4)
0.7320298
Log P
2.7462397
Molar Refractivity
59.6676
Polarizability
24.867105
Polar Surface Area
26.02
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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