Molecule

ID:82242

General Information
Structure
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Molecular Formula
C₉H₁₀
Molecular Mass
118.1757
Exact Mass
118.07825032
Charge
0
InChI
InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChIKey
VFSFCYAQBIPUSL-UHFFFAOYSA-N
Canonic Smiles
C1CC1c1ccccc1
Isomeric Smiles
C1C(C1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.754529
LogD (pH = 7.4)
2.754529
Log P
2.754529
Molar Refractivity
38.4466
Polarizability
15.105454
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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