Molecule

ID:85300

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey
FDLFMPKQBNPIER-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Oc1cccc(c1)C
Isomeric Smiles
O(c1cc(ccc1)C)c1cccc(c1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5003757
LogD (pH = 7.4)
4.5003757
Log P
4.5003757
Molar Refractivity
62.3812
Polarizability
24.24117
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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