Molecule

ID:39573

General Information
Structure
Molecular Formula
C₁₁H₉N
Molecular Mass
155.19586
Exact Mass
155.07349929
Charge
0
InChI
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey
HJKGBRPNSJADMB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1cccnc1
Isomeric Smiles
c1(cnccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3426812
LogD (pH = 7.4)
2.401974
Log P
2.4027987
Molar Refractivity
49.0373
Polarizability
20.544394
Polar Surface Area
12.89
Rotatable Bonds
1
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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