Molecule

ID:5997

General Information
Structure
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Molecular Formula
C₁₄H₁₀
Molecular Mass
178.2292
Exact Mass
178.07825032
Charge
0
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
InChIKey
YNPNZTXNASCQKK-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1ccccc1cc2
Isomeric Smiles
c1cccc2c1c1c(cc2)cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.95
LogD (pH = 5.5)
3.95
Log P
3.95
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
20.43
Molar Refractivity
58.96
LOG S
-5.17
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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