Molecule

ID:9840

General Information
Structure
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Molecular Formula
C₉H₁₀
Molecular Mass
118.1757
Exact Mass
118.07825032
Charge
0
InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChIKey
QROGIFZRVHSFLM-QHHAFSJGSA-N
Canonic Smiles
C/C=C/c1ccccc1
Isomeric Smiles
c1cccc(c1)/C=C/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.096583
LogD (pH = 7.4)
3.096583
Log P
3.096583
Molar Refractivity
41.4178
Polarizability
15.794981
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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