Molecule

ID:58616

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆O
Molecular Mass
188.26554
Exact Mass
188.12011513
Charge
0
InChI
InChI=1S/C13H16O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-10H,1-3H3/b11-8-
InChIKey
YCAMGBSPHGCQDC-FLIBITNWSA-N
Canonic Smiles
O=C/C(=C\c1ccc(cc1)C(C)C)/C
Isomeric Smiles
c1cc(ccc1/C=C(/C)\C=O)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6180296
LogD (pH = 7.4)
3.6180296
Log P
3.6180296
Molar Refractivity
60.6824
Polarizability
23.085659
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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