Molecule

ID:106721

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N
Molecular Mass
179.21726
Exact Mass
179.07349929
Charge
0
InChI
InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
InChIKey
WZJYKHNJTSNBHV-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)ccc1c2nccc1
Isomeric Smiles
c1ccc2c(ccc3c2nccc3)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1157358
LogD (pH = 7.4)
3.1203184
Log P
3.1203773
Molar Refractivity
56.4295
Polarizability
24.763622
Polar Surface Area
12.89
Rotatable Bonds
0
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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