Molecule

ID:126070

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N
Molecular Mass
155.19586
Exact Mass
155.07349929
Charge
0
InChI
InChI=1S/C11H9N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-9H/b6-3?,8-3?,9-7?,10-6-,11-7?,12-8?,12-9?
InChIKey
DMGLUDJTJZXMMG-BUTVZYRQSA-N
Canonic Smiles
C1=NC=Cc2c(C=C1)cccc2
Isomeric Smiles
c1cccc2C=CN=CC=Cc12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.04176217
LogD (pH = 7.4)
1.7745675
Log P
2.348375
Molar Refractivity
52.491
Polarizability
19.265652
Polar Surface Area
12.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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