Molecule

ID:76844

General Information
Structure
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Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
InChIKey
HPYNZHMRTTWQTB-UHFFFAOYSA-N
Canonic Smiles
Cc1ncccc1C
Isomeric Smiles
n1c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6405495
LogD (pH = 7.4)
1.3700639
Log P
1.400365
Molar Refractivity
33.5338
Polarizability
12.975754
Polar Surface Area
12.89
Rotatable Bonds
0
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
No Data Available
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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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