Molecule

ID:11735

General Information
Structure
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Molecular Formula
C₁₁H₉N
Molecular Mass
155.19586
Exact Mass
155.07349929
Charge
0
InChI
InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
InChIKey
VQGHOUODWALEFC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccccn1
Isomeric Smiles
c1c(cccc1)c1ccccn1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.754655
LogD (pH = 7.4)
2.7882028
Log P
2.788649
Molar Refractivity
48.6653
Polarizability
20.54631
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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