Molecule

ID:76373

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKey
IHASOVONMUHDND-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(c1ccccc1)O
Isomeric Smiles
OC(c1ccccc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
13.778214
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5035577
LogD (pH = 7.4)
3.5035574
Log P
3.5035577
Molar Refractivity
62.1979
Polarizability
24.19031
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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