Molecule
ID:67658
General Information
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10H2
InChIKey
AIHZDRMFOVBNAV-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)CCc1ccccc1
Isomeric Smiles
c1(cc(ccc1)CCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
10.0970335
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2060323
LogD (pH = 7.4)
4.2051764
Log P
4.2060432
Molar Refractivity
62.3771
Polarizability
24.106005
Polar Surface Area
20.23
Rotatable Bonds
3
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
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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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