Molecule

ID:107471

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀
Molecular Mass
118.1757
Exact Mass
118.07825032
Charge
0
InChI
InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKey
NVZWEEGUWXZOKI-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccccc1C
Isomeric Smiles
Cc1ccccc1C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2233694
LogD (pH = 7.4)
3.2233694
Log P
3.2233694
Molar Refractivity
40.7855
Polarizability
15.710997
Polar Surface Area
0.0
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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