Molecule

ID:121550

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄O
Molecular Mass
186.24966
Exact Mass
186.10446507
Charge
0
InChI
InChI=1S/C13H14O/c1-11(2)8-13(10-14)9-12-6-4-3-5-7-12/h3-7,9-10H,1,8H2,2H3/b13-9-
InChIKey
NLEIERSWYUVGJF-LCYFTJDESA-N
Canonic Smiles
O=C/C(=C\c1ccccc1)/CC(=C)C
Isomeric Smiles
C(=C\c1ccccc1)(/CC(=C)C)\C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2015312
LogD (pH = 7.4)
3.2015312
Log P
3.2015312
Molar Refractivity
60.0197
Polarizability
22.937187
Polar Surface Area
17.07
Rotatable Bonds
4
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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