Molecule

ID:9721

General Information
Structure
MolImage
Molecular Formula
C₆H₉N
Molecular Mass
95.14236
Exact Mass
95.07349929
Charge
0
InChI
InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
Canonic Smiles
CCn1cccc1
Isomeric Smiles
c1ccn(c1)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.633614
LogD (pH = 7.4)
1.633614
Log P
1.633614
Molar Refractivity
30.4621
Polarizability
11.653037
Polar Surface Area
4.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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