Molecule

ID:92023

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
InChIKey
MGHPNCMVUAKAIE-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)c1ccccc1
Isomeric Smiles
NC(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.03581461
LogD (pH = 7.4)
1.2365433
Log P
2.8832545
Molar Refractivity
58.8142
Polarizability
23.393534
Polar Surface Area
26.02
Rotatable Bonds
2
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
References
Bioactivity
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