Molecule

ID:119154

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₂
Molecular Mass
216.27564
Exact Mass
216.11502975
Charge
0
InChI
InChI=1S/C14H16O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2,(H,15,16)/t12-,13-/m1/s1
InChIKey
SLIBOSUXKGDWRP-CHWSQXEVSA-N
Canonic Smiles
OC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1
Isomeric Smiles
C(=O)([C@H]1[C@@H](Cc2ccccc2)CC=CC1)O
Calculated Properties
JChem
Acid pKa
4.752941
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5757568
LogD (pH = 7.4)
0.79908967
Log P
3.3936267
Molar Refractivity
64.2071
Polarizability
24.601685
Polar Surface Area
37.3
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
No Data Available
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Molecule Details
References
Bioactivity
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