Molecule

ID:132007

General Information
Structure
Molecular Formula
C₆H₆
Molecular Mass
90.06709193
Exact Mass
90.06640213
Charge
0
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+2,2+2,3+2,4+2,5+2,6+2
InChIKey
UHOVQNZJYSORNB-YROCTSJKSA-N
Canonic Smiles
[14cH]1[14cH][14cH][14cH][14cH][14cH]1
Isomeric Smiles
[14cH]1[14cH][14cH][14cH][14cH][14cH]1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9732459
LogD (pH = 7.4)
1.9732459
Log P
1.9732459
Molar Refractivity
26.058
Polarizability
10.40423
Polar Surface Area
0.0
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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