Molecule

ID:104993

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
InChIKey
MFEIKQPHQINPRI-UHFFFAOYSA-N
Canonic Smiles
CCc1cccnc1
Isomeric Smiles
CCc1cccnc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4244674
LogD (pH = 7.4)
1.7078062
Log P
1.7135634
Molar Refractivity
33.5433
Polarizability
13.054888
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
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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