Molecule

ID:78338

General Information
Structure
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Molecular Formula
C₉H₁₀
Molecular Mass
118.1757
Exact Mass
118.07825032
Charge
0
InChI
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
InChIKey
PQNFLJBBNBOBRQ-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c(C1)cccc2
Isomeric Smiles
c1cccc2c1CCC2
Calculated Properties
JChem
LogD (pH = 7.4)
2.98
LogD (pH = 5.5)
2.98
Log P
2.98
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
14.11
Molar Refractivity
38.94
LOG S
-2.76
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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