Molecule

ID:92991

General Information
Structure
MolImage
Molecular Formula
C₆H₉N
Molecular Mass
95.14236
Exact Mass
95.07349929
Charge
0
InChI
InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
InChIKey
MFFMQGGZCLEMCI-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]cc(c1)C
Isomeric Smiles
[nH]1c(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
18.127516
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.7661127
LogD (pH = 7.4)
1.7661127
Log P
1.7661127
Molar Refractivity
31.0077
Polarizability
11.5751505
Polar Surface Area
15.79
Rotatable Bonds
0
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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