Molecule

ID:89222

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄O
Molecular Mass
186.24966
Exact Mass
186.10446507
Charge
0
InChI
InChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKey
VCDPHYIZVFJQCD-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC/C/1=C\c1ccccc1
Isomeric Smiles
O=C1/C(=C/c2ccccc2)/CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.542641
LogD (pH = 7.4)
3.542641
Log P
3.542641
Molar Refractivity
58.3938
Polarizability
22.42665
Polar Surface Area
17.07
Rotatable Bonds
1
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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