Molecule

ID:9722

General Information
Structure
MolImage
Molecular Formula
C₆H₉N
Molecular Mass
95.14236
Exact Mass
95.07349929
Charge
0
InChI
InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3
InChIKey
XRPDDDRNQJNHLQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc[nH]1
Isomeric Smiles
c1cc([nH]c1)CC
Calculated Properties
JChem
Acid pKa
18.09511
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.7752136
LogD (pH = 7.4)
1.7752136
Log P
1.7752136
Molar Refractivity
30.4905
Polarizability
11.655792
Polar Surface Area
15.79
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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