Molecule

ID:69905

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀
Molecular Mass
178.2292
Exact Mass
178.07825032
Charge
0
InChI
InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
InChIKey
BPBNKCIVWFCMJY-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(ccc(cc1)C#C)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7713065
LogD (pH = 7.4)
3.7713065
Log P
3.7713065
Molar Refractivity
56.3665
Polarizability
24.091345
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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